diff --git "a/Q9BY41_molecules.csv" "b/Q9BY41_molecules.csv"
--- "a/Q9BY41_molecules.csv"
+++ "b/Q9BY41_molecules.csv"
@@ -56004,3 +56004,1535 @@ rxn:5:228777:178295:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2ccc(OC)c
 rxn:5:228925:193869:225986,CSc1cnc(F)c(-c2cc(C)c(-c3ccccc3N3CCCS3(=O)=O)cc2S(=O)(=O)N2CCCCC2)c1,CNBCAJUCHRBVOG-UHFFFAOYSA-N
 rxn:5:228930:193869:225985,CSc1c(-c2cc(C)c(-c3cccc(N4CCCS4(=O)=O)c3)cc2S(=O)(=O)N2CCCCC2)ccnc1F,YRIOXHQDKOUHNE-UHFFFAOYSA-N
 rxn:5:228930:193870:225985,CSc1c(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)c(S(=O)(=O)N3CCCCC3)cc2C)ccnc1F,IBYWWOLNGKEAFM-UHFFFAOYSA-N
+rxn:4:173281:226860,FC(F)(F)Oc1ccc(-c2cc(Cl)ccc2OC(F)(F)F)c(OCC(F)(F)C(F)(F)F)c1,FLHTXFULFOSQQR-UHFFFAOYSA-N
+rxn:4:173338:222812,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)cc1,BYIBSHIHDPAELP-UHFFFAOYSA-N
+rxn:4:173433:222759,CCOC(=O)C(C(C)=O)c1ccc(OC)cc1-c1cc(C)cc(NC(=O)OC(C)(C)C)c1,QUOBRRPWVVBDSP-UHFFFAOYSA-N
+rxn:4:173459:225213,CN1CCN(c2ccc(-c3ccc(Cl)cc3CC(=O)CC(=O)OC(C)(C)C)c(Cl)c2)CC1,ZVEZTXYBSDALTB-UHFFFAOYSA-N
+rxn:4:173511:222511,CCOC(=O)c1ccc(OCc2ccccc2C)c(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)c1,SAOARBOJYSMAEN-UHFFFAOYSA-N
+rxn:4:173571:224566,COC(=O)C1(c2ccc(-c3ccc(OC)cc3CCO[Si](C)(C)C(C)(C)C)cc2)CCCC1,QUAJQEOUAYRUQO-UHFFFAOYSA-N
+rxn:4:173596:225726,CCOC(=O)c1ccc(-c2c(OC)ccc(OC)c2-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1OC,WKJATQOUQQAFAA-UHFFFAOYSA-N
+rxn:4:173600:224352,CCOC(=O)c1c(C)oc2cc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)c(OC(=O)CC)cc12,DDFXZGBDUKDYJJ-UHFFFAOYSA-N
+rxn:4:173656:226714,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccnn3C(=O)OC(C)(C)C)cc1)C2=O,HGQGKSZRPBSPLI-UHFFFAOYSA-N
+rxn:4:173688:223034,CC(C)(C)NC(=O)c1cncc(-c2ccccc2C=C2Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)c1,PKYLMNCVLZNZMB-UHFFFAOYSA-N
+rxn:4:173704:222844,COc1cccc2c(-c3cccc(NC(=O)C4CCCC4)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,JGPFEAOYYLEFMN-UHFFFAOYSA-N
+rxn:4:173809:222732,O=C(NC1CCCCC1)c1ccc(-c2cc(C(F)(F)F)ccc2OC(C(F)(F)F)C(F)(F)F)cc1,FQTGIGOTACGMAU-UHFFFAOYSA-N
+rxn:4:173812:223608,C#CCCCCc1cccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)c1,JDCIQLNYJVFDNJ-UHFFFAOYSA-N
+rxn:4:173909:223884,COC(=O)COc1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1C(C)=O,YDELFEXHCKJSNJ-UHFFFAOYSA-N
+rxn:4:174444:224734,COC(=O)c1cc(F)c(OCC2CCCCC2)c(-c2ccc(C(F)(F)F)cc2OCC2CC2)c1,JLBRRENHVJXMEW-UHFFFAOYSA-N
+rxn:4:174490:224126,CCN1CCN(C(C)c2cccc(-c3cccc(C(=O)CCCC4OCC(C)(C)CO4)c3)c2)CC1,CFRNDTFMDJACBS-UHFFFAOYSA-N
+rxn:4:174522:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3)c2)CC1,OHCUJPVNJHPFMZ-UHFFFAOYSA-N
+rxn:4:174531:224404,CCOC(=O)c1cc2cc(OC(F)(F)F)cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)c2o1,HCCQBIGSDZRKNF-UHFFFAOYSA-N
+rxn:4:174615:223712,COc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1C=C1Oc2cc(OC(=O)C3CC3)ccc2C1=O,ISBZSMLVFKDDPR-UHFFFAOYSA-N
+rxn:4:174649:223735,COc1ccc(-c2ccccc2OCc2ccc(C(C)(C)C)cc2)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,UEIIVNGQOYPEFG-UHFFFAOYSA-N
+rxn:4:174655:225573,CCCCCOc1cc2c(cc1-c1cc(C(=O)OC)cc(C3CC3)c1)C(C)(C)CCC2(C)C,NXQWBFXCBRJARG-UHFFFAOYSA-N
+rxn:4:174656:222876,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc(C(=O)NC(C)(C)C)c(F)c3)c12)(C(C)C)C(C)C,GDSUNKVKFKBZCP-UHFFFAOYSA-N
+rxn:4:174663:223169,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cnc(C3CCNCC3)nc2)cc1,QVGLBKWKFVSLEC-AMNGXLNPSA-N
+rxn:4:174686:224800,CC(C)Oc1cc(-c2ccc(OC(F)(F)F)cc2C(=O)C(F)(F)F)ccc1OC(F)(F)F,BSRWSKQHOSUSIE-UHFFFAOYSA-N
+rxn:4:174931:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)CCC(F)(F)F)cc2)CC1,NWNVKJZFYSLTDK-UHFFFAOYSA-N
+rxn:4:175160:223598,O=C(CSC1COC1)c1cccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c1,HCYDITILRHIORG-UHFFFAOYSA-N
+rxn:4:175309:223505,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1OC(C)C,DQDYXFUZZUAJSD-UHFFFAOYSA-N
+rxn:4:175772:224664,CN1CCN(Cc2cc(F)cc(-c3cccc([Si](C)(C)C)c3OS(=O)(=O)C(F)(F)F)c2)CC1,XGDKHILRWPIUNP-UHFFFAOYSA-N
+rxn:4:175959:223497,Cc1c(OCC(=O)c2ccc(Cl)cc2)ccc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c1C,KZWGWCUNQCDKIY-UHFFFAOYSA-N
+rxn:4:176018:224022,COc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(F)cc1OCC1CCCCC1,BNLIKDMQQOMYJC-UHFFFAOYSA-N
+rxn:4:176104:222539,CC(=O)c1cccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)c1OCC1CCCCC1,KBQYXTAGCWVQRL-UHFFFAOYSA-N
+rxn:4:176147:222723,O=S(=O)(Oc1ccc(C2SCCCS2)cc1)c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1,XYYBFCMUIZUOAZ-UHFFFAOYSA-N
+rxn:4:176207:224064,COC(=O)CC[C@H]1CCc2cc(-c3cc(C4CC4)cc(N4CCCCC4C)c3)ccc2O1,UHUCFAHPMSKTCP-COTLDPOVSA-N
+rxn:4:176306:222774,O=C1C(=Cc2ccc(-c3ccc(F)c(CN4CCC(O)CC4)c3)cc2)Oc2cc(OC(=O)C3CCCCC3)ccc21,ZKTQDYFYCDQVPV-UHFFFAOYSA-N
+rxn:4:176308:224601,O=C1C(=Cc2ccccc2-c2ccc3c(cnn3C3CCCCO3)c2)Oc2cc(OC(=O)C3CCCCC3)ccc21,DYDPHAWXWOZDCR-UHFFFAOYSA-N
+rxn:4:176945:223999,Cc1ccc(OC(F)(F)C(F)(F)F)c(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)c1,JMLAMDYTRJKHAK-UHFFFAOYSA-N
+rxn:4:177687:223993,Cc1cc(-c2ccc(S(=O)(=O)Oc3c(F)c(F)c(F)c(F)c3F)c(Cl)c2)ccc1S(=O)(=O)N1CCN(C)CC1,CWEBFTUJENNJSN-UHFFFAOYSA-N
+rxn:4:177720:223559,CC(=O)c1ccc(OC(C)C)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,CZTSSRDDFOIEJD-UHFFFAOYSA-N
+rxn:4:177977:223568,COC(=O)C1(C)OC1(C)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc1,BLVKOWFARDLWFO-UHFFFAOYSA-N
+rxn:4:178269:224061,CCCC1CCC(c2ccc(-c3ccc(OC4CCCCC4)c(C(F)(F)F)c3)c(F)c2)CC1,LWPVBBNVQFJCCB-UHFFFAOYSA-N
+rxn:4:178293:223772,COC(=O)C1(c2ccccc2-c2cc3ccc(OC)cc3n2C(=O)OC(C)(C)C)CCC(=O)CC1,RTWZZBAJVCCWSP-UHFFFAOYSA-N
+rxn:4:178381:222908,CC(C)(C)OC(=O)Nc1cncc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,AQZKQTOWYCWTHZ-UHFFFAOYSA-N
+rxn:4:178384:225312,CN1CCCN(c2ncc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cn2)CC1,LEIPADCXZATXFV-UHFFFAOYSA-N
+rxn:4:178384:225848,Cc1cn(-c2ccc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c(Cl)c2)cn1,GHORLVQPPXBFAU-UHFFFAOYSA-N
+rxn:4:178384:226223,CCOCCOc1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,HWISSQWQRJWSBV-UHFFFAOYSA-N
+rxn:4:178384:226437,Fc1cnc(C2CCCC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,YUUSUDUTJHZSMO-UHFFFAOYSA-N
+rxn:4:178384:226446,Cc1nc(C2CCOC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,SIEMTYYDVMFAOI-UHFFFAOYSA-N
+rxn:4:178384:227117,Cc1cc(C2CC2)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,TXFZQUGGZQACRD-UHFFFAOYSA-N
+rxn:4:178384:227358,CCOc1cc(C)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,FXDZBINMLZOGDL-UHFFFAOYSA-N
+rxn:4:178384:227561,COc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1OC,UZCQFGSQVOYECB-UHFFFAOYSA-N
+rxn:4:178384:228638,Cc1cc(C)c(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,YIGMCUFUBKRKAR-UHFFFAOYSA-N
+rxn:4:178384:228903,COc1ncc(Cl)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,UVOIGKGHVBSYPS-UHFFFAOYSA-N
+rxn:4:178433:223712,CCOC(=O)C1COc2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc21,KETVPOZRQSGFRN-UHFFFAOYSA-N
+rxn:4:178594:226516,CCc1cc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)cc(C(=O)OC)n1,SHCNDCIBXILULM-UHFFFAOYSA-N
+rxn:4:178597:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,KYLIJPIMOGMEAZ-UHFFFAOYSA-N
+rxn:4:178597:229309,Cc1ncc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)o1,LREFBDOZDLDRKM-UHFFFAOYSA-N
+rxn:4:178942:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cc(C(F)F)cc(C(F)(F)F)c3)cc2)CC1,ZMSRFMMQZFBLAR-UHFFFAOYSA-N
+rxn:4:179928:224065,CC1CCN(c2cc(-c3cc(C4OCCO4)c(F)cc3C(F)(F)F)cc(C3CC3)c2)CC1,NSIQLOYMSNBUCD-UHFFFAOYSA-N
+rxn:4:180495:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCOCC4)ccc3C3CC3)cc2)CC1,CDDGWHLLTPNXJL-UHFFFAOYSA-N
+rxn:4:180815:225220,COc1ccc(-c2cnc(N3CCCCC3C)c(Cl)c2)cc1C12CC3CC(CC(C3)C1)C2,LHDLGSNZSUTDFV-UHFFFAOYSA-N
+rxn:4:181620:223526,Cc1cc([B-](F)(F)F)c(C)cc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,WCAUGHQTNKAFBX-UHFFFAOYSA-N
+rxn:4:181834:223699,O=C1CC(=O)CC(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)o2)C1,OVBYLPYGTLUSSH-UHFFFAOYSA-N
+rxn:4:182372:222803,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cc1C2=O,FTRDHPVBALPNLT-QTTSBWOESA-N
+rxn:4:182372:224399,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(N4CCOCC4)cc3C(F)(F)F)cc1C2=O,FDLRFSDZBBAJJZ-WBANQOEISA-N
+rxn:4:182376:223888,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCC5)cc3C2=O)C[C@@H]1C,HMSSMCZQENSJJU-QMEWRSTKSA-N
+rxn:4:182376:224986,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCCCC5)cc4C#N)cc3C2=O)C[C@@H]1C,INZLITGNICDAAM-BFVWLKTBSA-N
+rxn:4:182376:225182,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccnc(OC5CCCCC5)c4Cl)cc3C2=O)C[C@@H]1C,RYEQNFKCFFZBKD-VCHYDZHZSA-N
+rxn:4:183102:223597,O=C1CCCOc2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)ccc21,LOTIHDIFSQIKFJ-UHFFFAOYSA-N
+rxn:4:183265:224420,Cc1cc2c(cc1-c1ccc3c(c1)C(=O)C1(CCC(F)(F)CC1)C3)C(C)(C)CCC2(C)C,QGATYYUOJJQHMK-UHFFFAOYSA-N
+rxn:4:183272:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,LZVYMEDBHACKJU-UHFFFAOYSA-N
+rxn:4:183274:225446,Cc1cc(OC2CCCC2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,OAFGUFKGOTUVIR-UHFFFAOYSA-N
+rxn:4:183274:226355,COc1cc(Cl)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc1C1CC1,GNEWSGHWDWKHCV-UHFFFAOYSA-N
+rxn:4:183274:228900,COc1cnc(Cl)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,NRWXNEPDQYZOCI-UHFFFAOYSA-N
+rxn:4:183274:229176,Fc1cnc(Cl)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,YGAMVQUFMMGQMJ-UHFFFAOYSA-N
+rxn:4:183379:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1cc2c(c3c1OC(C)(C)C=C3)OC(C)(C)OC2=O,XCLMJXSOLOIMKN-UHFFFAOYSA-N
+rxn:4:183472:222645,CCOC(=O)COc1cccc([N+](=O)[O-])c1-c1cccc(OCCN2CCC(O)CC2)c1,DXCCGDGZLDJWPU-UHFFFAOYSA-N
+rxn:4:183513:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(F)F)c(C#N)c3CC(=O)OCC)cc2)CC1,KUNQFMRZYQIPCD-UHFFFAOYSA-N
+rxn:4:183528:224997,CCOC(=O)Cc1ccc(C#N)c(-c2ccc(C(=O)N3CCCCC3)cc2)c1C(F)(F)F,RYVCIJMICRBKBD-UHFFFAOYSA-N
+rxn:4:183662:222711,CCN(CC)Cc1ccc(OC(F)(F)F)c(-c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)c1,RGHCKSQEXSHEHG-UHFFFAOYSA-N
+rxn:4:183668:224893,CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(-c2cc(C(C)(C)C)nc(C(C)(C)C)c2)cc1,YQTYWQPQTMJHED-UHFFFAOYSA-N
+rxn:4:183715:224061,CCCC1CCC(c2ccc(-c3ccc(OCC(=O)N(CC)CC)c(C)c3)c(F)c2)CC1,KMSDOODBXZIWDW-UHFFFAOYSA-N
+rxn:4:183791:224835,CCN(Cc1cc(F)cc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)c1)C(=O)OC(C)(C)C,PVJWINFZDJXLPL-UHFFFAOYSA-N
+rxn:4:183876:222389,CC(C)(C)OC(=O)N1CC(COc2ccc(Cl)cc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)C1,OSTFUNQZMBHDFP-UHFFFAOYSA-N
+rxn:4:183883:222974,CC(C)(C)NC(=O)c1ccc(-c2ccc(OCCC3CCN(CC(F)(F)F)CC3)cc2)cc1,OLHONLGFRAKPEC-UHFFFAOYSA-N
+rxn:4:183937:223179,CONC(=O)c1cc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CCC2)ccc1F,MANPVFMWSKLUOH-UHFFFAOYSA-N
+rxn:4:183954:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4nc(-c5ccco5)oc4SCc4ccc(F)cc4)cc3)cc2)CC1,SJFSYDCZDNCGDT-UHFFFAOYSA-N
+rxn:4:183965:226153,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2cc(C3CC3)c(OC)cc2C)c1,BEXSYSMDNKBAAI-UHFFFAOYSA-N
+rxn:4:183984:223035,Cc1cc(-c2cccnc2NC(=O)C(C)(C)C)ccc1CN(C(=O)OC(C)(C)C)C(C)C,KCFXBHOFPXIOOX-UHFFFAOYSA-N
+rxn:4:183991:223093,Cc1ccc(C(=O)COC(=O)C2CC(=O)N(c3ccc(-c4cncc(NS(=O)(=O)C(C)C)c4)cc3)C2)cc1,PMBGNTAFKRGRBE-UHFFFAOYSA-N
+rxn:4:184004:226024,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4cccc(OCC(F)(F)F)c4F)cc3)SC2=S)cc1OC,FPBDJMKSNDXSLV-UHFFFAOYSA-N
+rxn:4:184125:222395,O=C(NC1CCC(O)CC1)c1cccc(-c2cc(OCCCN3C(=O)c4ccccc4C3=O)cc(C(F)(F)F)c2)c1,DICLHTYDYGXBDO-UHFFFAOYSA-N
+rxn:4:184156:225752,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1cc(C(=O)OC)cnc1C(C)C)C2=O,LBKZYQVBVKCFPY-UHFFFAOYSA-N
+rxn:4:184158:224283,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)cc1)C2=O,QCXJCWSMEXEKDF-UHFFFAOYSA-N
+rxn:4:184159:224842,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c1)C2=O,UGVBOJLXWNVGMM-UHFFFAOYSA-N
+rxn:4:184167:224425,CCCC1CCC(c2ccccc2-c2ccc3cc(CN(C(=O)OC(C)(C)C)C4CC4)ccc3c2)CC1,VSMHLBAXCLWGDH-UHFFFAOYSA-N
+rxn:4:184182:225640,COc1ccc(CCC(=O)N2C3CCC2CC(SC)C3)cc1-c1ccnc(N2CCCCC2C)c1,ZZRFOMILBREWBL-UHFFFAOYSA-N
+rxn:4:184182:228349,COc1ccc(CCC(=O)N2C3CCC2CC(SC)C3)cc1-c1cnn(C2CCOC2)c1,OWIJXYLGSVZCHX-UHFFFAOYSA-N
+rxn:4:184191:225743,COC(=O)Cc1ccc(OC)c(-c2ccc3c(c2)C(=O)C(=O)N3CCCOc2ccc(C(C)(C)C)cc2)c1,IMEJVWMOJXDMKU-UHFFFAOYSA-N
+rxn:4:184206:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N(C(=O)c4ccccc4)c4ccc5oc(C)c(C(C)=O)c5c4)cc3)cc2)CC1,OOUSOHLGZMYVPG-UHFFFAOYSA-N
+rxn:4:184453:222822,COC(=O)Cc1ccc(C#N)c(-c2cc(S(=O)(=O)NC3CC3)c(C)cc2F)c1C(F)(F)F,ITVQTKVHFCHTEQ-UHFFFAOYSA-N
+rxn:4:184486:223761,CCOC(=O)c1cc(C#N)c(C(F)(F)F)c(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)c1,HWSMGZUYHIAPMN-UHFFFAOYSA-N
+rxn:4:184582:223489,CCOC(=O)c1c(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)ccc(OC)c1C#N,UIPSQMWPNSEAFB-UHFFFAOYSA-N
+rxn:4:184693:225827,CN1CCN(c2cc(-c3cc(OC(F)(F)F)cc(S(=O)(=O)C(C)(C)C#N)c3)ccn2)CC1,QDHMZBSHSYBMNK-UHFFFAOYSA-N
+rxn:4:184737:225297,O=C(Cc1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC(F)(F)F)N1CCC1,ZNUINIXHURVCNS-UHFFFAOYSA-N
+rxn:4:184944:224653,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(Cl)cc2OCC2CCCCO2)c(Cl)c1,MPCKZMCNRCKKDF-UHFFFAOYSA-N
+rxn:4:185003:222434,O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2ccc(OCC(=O)N3CCC(C(F)(F)F)CC3)cc2)cc1,ZFASAZVWCJGVIF-UHFFFAOYSA-N
+rxn:4:185097:222997,COC1CCN(CCOc2c(F)cc(Cl)cc2-c2ccc(Cl)cc2C2CCCNC2)CC1,NUJDKTPBPIPCLI-UHFFFAOYSA-N
+rxn:4:185130:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(CC3CN(C(=O)OC(C)(C)C)C3)c2)s1,FEVNBQCBNMRVOJ-UHFFFAOYSA-N
+rxn:4:185147:223134,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cnccc2C2CCCNC2)C1,JRLDGKIBGZPQJM-UHFFFAOYSA-N
+rxn:4:185154:222638,COC(=O)c1ccc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)cc1CN1CCCC(C(F)(F)F)C1,AIOJRFUDEXXXQJ-UHFFFAOYSA-N
+rxn:4:185170:224797,CCCCOc1c(F)c(F)c(-c2ccccc2C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)c(F)c1F,BGLRBWIKYZTFFM-UHFFFAOYSA-N
+rxn:4:185198:225461,COC(=O)c1cc(-c2ccc(N3CCCCC3)cc2C)ccc1CN1CCC(OC)CC1,YRVMOCSPXLTJRW-UHFFFAOYSA-N
+rxn:4:185199:224877,COC(=O)c1cc(CN2CCC(OC)CC2)cc(-c2ccc(COC3CCCCC3)cc2)c1,GMLXWELHEVFEIW-UHFFFAOYSA-N
+rxn:4:185208:223786,CN1CCN(CCCOc2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)c(F)c3)cc2Cl)CC1,UPJVJRVOFYQULX-UHFFFAOYSA-N
+rxn:4:185208:226470,CCOC(=O)CCc1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)c(F)c2)cs1,TUWGBVVCHCBSTG-UHFFFAOYSA-N
+rxn:4:185212:223166,CC(C)(C)OC(=O)N1C(Cc2ccc(-c3ccc(N4CCNCC4)nc3)cc2)COS1(=O)=O,XSBTZLBLKFTCST-UHFFFAOYSA-N
+rxn:4:185243:222658,CC(C)CN(C(=O)c1ccc(-c2cc(F)cc(C(=O)NC3CCCCC3)c2)cc1)C1CCS(=O)(=O)C1,ZCBJSHTYAJFYMY-UHFFFAOYSA-N
+rxn:4:185245:222609,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)o2)CC1,FNVTUOMFENZNRS-UHFFFAOYSA-N
+rxn:4:185263:224963,COc1cc(N2CCC(C(OC)OC)CC2)cc(F)c1-c1cccc(COC2CCOCC2)c1,YNGRBSFEKOYLOL-UHFFFAOYSA-N
+rxn:4:185290:222789,CC(C)(C)OC(=O)Nc1ccc(F)cc1-c1cccc(CN(C(=O)c2ccc(F)cc2)C2CCS(=O)(=O)C2)c1,YMKYWOXJWKSISH-UHFFFAOYSA-N
+rxn:4:185291:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc(C(=O)N(Cc3ccc(F)cc3)C3CCS(=O)(=O)C3)cc2)c1F,SSVHMHAOVVGUKK-UHFFFAOYSA-N
+rxn:4:185305:226844,CCOc1cc(S(=O)(=O)N2CCCCC2CC)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,QIGOFBYWOAHSSQ-UHFFFAOYSA-N
+rxn:4:185318:225524,CCCCCOc1cc(Cl)ccc1-c1cc(C2CC2)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,YTKOTOGADCEMKW-UHFFFAOYSA-N
+rxn:4:185379:226871,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3ccc(Cl)cc3OC(F)(F)F)c2)CC1,VSYVTLMWXVLZHS-UHFFFAOYSA-N
+rxn:4:185391:222466,Cc1cccc(C(=O)N(Cc2cccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)C2CCS(=O)(=O)C2)c1,KRNPESAILHNJLF-UHFFFAOYSA-N
+rxn:4:185415:222819,O=C(Nc1ccc(-c2ccc(N(C(=O)CC3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cn1)N1CCOCC1,LAEPTCHZRJHBGU-UHFFFAOYSA-N
+rxn:4:185433:227987,COc1c(C)ccc(-c2cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C,MJQTZIPXBSWRSG-UHFFFAOYSA-N
+rxn:4:185448:223239,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cncc(C4CCCN4)c3)cc(C3CCOCC3)c2)CC1,LMGCIMOGRPVCTK-UHFFFAOYSA-N
+rxn:4:185461:223608,CCOC(=O)c1cnc2cc(OCC)c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)cc2c1Cl,FCYMPNQAWHXUOJ-UHFFFAOYSA-N
+rxn:4:185559:224769,CCCOc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1-c1ccc(N2CCCC2)cc1C(F)(F)F,UGLBKAOLXGZQFL-UHFFFAOYSA-N
+rxn:4:185589:228490,COc1ccc(-c2cccc(S(=O)(=O)F)c2)cc1C=C1Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O,IWMJEGHSDHZFIY-UHFFFAOYSA-N
+rxn:4:185613:224666,COc1ccc(CCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1-c1ccc(F)c(CN2CCN(C)CC2)c1,LZYOGNWWFCXBEE-UHFFFAOYSA-N
+rxn:4:185626:227754,CC(C)(C)OC(=O)N1CCC[C@H]1[C@@]1(c2ccccc2)Cc2c(cc(F)cc2-c2c(Cl)cccc2C(F)(F)F)O1,VGBXBASIRZZTBS-SVEHJYQDSA-N
+rxn:4:185963:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(OCC(C)=O)c([N+](=O)[O-])c1,MWCOTNYUIMOFTD-UHFFFAOYSA-N
+rxn:4:186176:223792,COC(=O)Cc1c(C)ccc(-c2ccc(C(=O)N3CCC(C(=O)OC)CC3)cc2)c1C#N,VYLBCIWYGHTBTJ-UHFFFAOYSA-N
+rxn:4:186286:223841,CCS(=O)(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cnc1C(=O)OC,VRGHVRZBCCFNFN-UHFFFAOYSA-N
+rxn:4:186407:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N(C)C)c(OC(F)(F)F)c3)c2)CC1,KFSKQFYYLUTZIZ-UHFFFAOYSA-N
+rxn:4:186540:226871,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(Cl)cc2OC(F)(F)F)cc(C(F)(F)F)c1,YGJDPNIHBWHLKC-UHFFFAOYSA-N
+rxn:4:186681:223569,COC(=O)C(=CN(C)C)c1cccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)c1,FNUPYRLZLKWINK-UHFFFAOYSA-N
+rxn:4:186685:223523,CCOc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(S(=O)(=O)N2CCN(CC)CC2)c2ccccc12,OODFDKRFRIOREL-UHFFFAOYSA-N
+rxn:4:186797:223652,COc1ccc(Cl)c2cc(-c3cc(Cl)ccc3OCC(=O)N3CCOCC3)n(C(=O)OC(C)(C)C)c12,ZFNVYTSFHKKGON-UHFFFAOYSA-N
+rxn:4:186920:225908,CCOc1ccc(C(F)(F)F)cc1-c1cccc(S(=O)(=O)CC(=O)N2CCC(F)(F)C2)c1,IGQRBZDEJZYREK-UHFFFAOYSA-N
+rxn:4:186970:222718,COC[C@@H]1CCCN1C(=O)c1ccc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)cc1,GWLAFFJZMJPPTR-NRFANRHFSA-N
+rxn:4:187014:225905,CON(C)C(=O)c1ccc(-c2ccc(OC(F)(F)F)c(C(=O)N3CCCCC3)c2)c(Cl)c1,ATATWYQTLKZTLB-UHFFFAOYSA-N
+rxn:4:187027:226863,O=C(c1cc(OC(F)(F)F)cc(-c2ccc(OC(F)(F)F)cc2F)c1)N1CCC(F)(F)CC1,UZDNGVALUSXWLW-UHFFFAOYSA-N
+rxn:4:187060:223840,COc1ccc(-c2ccc(OCC(=O)N3CCOCC3)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1,XCYJKDKBVBOJPD-UHFFFAOYSA-N
+rxn:4:187126:222748,COc1cc(S(=O)(=O)N2CCCC2)c(OC)cc1-c1cccc(C(=O)NCC2CCCO2)c1,OQTJDBSQDSUUMT-UHFFFAOYSA-N
+rxn:4:187126:224890,COc1cc(S(=O)(=O)N2CCCC2)c(OC)cc1-c1cc(C2CC2)cc(N2CCCC2)c1,BHJFAIJOCCLJKZ-UHFFFAOYSA-N
+rxn:4:187146:223641,CCc1cc2c(cc1F)cc(-c1ccc(F)cc1CC(=O)N1CCCC(C(F)(F)F)C1)n2C(=O)OC(C)(C)C,DOKCVBJBOZOTID-UHFFFAOYSA-N
+rxn:4:187153:224572,CC1CCCN(c2ccc(-c3ccc(S(=O)(=O)CC(=O)N4CCCC(F)(F)C4)cc3)c(C#N)c2)C1,WTBJVQPXWIJHCT-UHFFFAOYSA-N
+rxn:4:187153:226593,CC(C)Oc1ccc(F)c(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)cc2)c1F,AKCKSQCENVDAAT-UHFFFAOYSA-N
+rxn:4:187158:225408,O=C(CS(=O)(=O)c1cccc(-c2cc3c4c(c2)CCCN4CCC3)c1)N1CCC(F)(F)CC1,OLQZGZBDGRXBEZ-UHFFFAOYSA-N
+rxn:4:187191:222466,CCCS(=O)(=O)N1CCCC1c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,QOWKRRTWIWMUBO-UHFFFAOYSA-N
+rxn:4:187270:225010,Fc1ccc(-c2ccc(C(F)(F)F)cc2CN2CCCC(C(F)(F)F)C2)cc1CN1CCCCC1,QLMBNLBOLMVFDZ-UHFFFAOYSA-N
+rxn:4:187271:225346,COc1ccc(-c2ccc(C(F)(F)F)cc2CN2CCC(C(F)(F)F)CC2)cc1S(=O)(=O)N(C)C,SRZVJZWCWBHUJR-UHFFFAOYSA-N
+rxn:4:187290:223562,CC1CCN(CCOc2ccccc2-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,QEUHDNHXLVPOCC-UHFFFAOYSA-N
+rxn:4:187295:222638,Cc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)c1,ILPMSWMEMDGRHA-UHFFFAOYSA-N
+rxn:4:187327:223169,CC(C)(C)OC(=O)N1[C@@H](c2cccc(-c3cnc(C4CCNCC4)nc3)c2)COS1(=O)=O,CLMHRQBJHDITAW-LJQANCHMSA-N
+rxn:4:187415:222846,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(C4CCCNC4)ccc3C#N)o2)CC1,RPOVQOMQAGLSLD-UHFFFAOYSA-N
+rxn:4:187430:224742,COC(=O)c1cc(CN2CCCC(C)C2)cc(-c2cc(C3OCCO3)c(OC)cc2OC)c1,OJJCERPDMXJJTG-UHFFFAOYSA-N
+rxn:4:187492:223686,CC(C)(C)OC(=O)N1CCOC(c2cccc(-c3ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c3)c2)C1,OEFVQQACUOFLTC-UHFFFAOYSA-N
+rxn:4:187537:223774,COc1cccc2c1cc(-c1ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c1)n2C(=O)OC(C)(C)C,WBFBPJXIFDUPIH-UHFFFAOYSA-N
+rxn:4:187542:224100,COc1cc(-c2ccccc2OCCN2CCC(C)CC2)cc(OC)c1CN1CCC(C)CC1,GVCYUZFGKHRCMM-UHFFFAOYSA-N
+rxn:4:187598:225091,CCCCOc1c(OC)ccc(-c2ccccc2C(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c1F,PLHLTTUCZVAPFU-UHFFFAOYSA-N
+rxn:4:187634:222740,CC(C)c1cc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc(C2CCCNC2)n1,WXGWURLLEARYDO-UHFFFAOYSA-N
+rxn:4:187634:226662,CN1CCN(c2ccc(-c3ccc(N(C(=O)C4CCCCC4)C4C=CS(=O)(=O)C4)cc3)s2)CC1,GNJZNFZOWCIOOG-UHFFFAOYSA-N
+rxn:4:187648:223107,COc1ncc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)cc1NS(C)(=O)=O,QCCITWCPWBOQKN-UHFFFAOYSA-N
+rxn:4:187648:225523,CCOC(=O)CCc1cccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)c1,TYGPOXSTFDPWEV-UHFFFAOYSA-N
+rxn:4:187696:222948,Cc1cc(-c2cnc(N3CCC(O)CC3)nc2Cl)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C,MBZLVLMRZJIZJN-UHFFFAOYSA-N
+rxn:4:187860:223608,O=S(=O)(c1cc(-c2ccc3cc(OCCN4CCCC4)ccc3c2)ccc1OC(F)(F)F)N1CCOCC1,MRBADFNABIGRRB-UHFFFAOYSA-N
+rxn:4:187916:222465,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,VIEUNCUJUDCHKD-UHFFFAOYSA-N
+rxn:4:187945:224727,COC(=O)C1=Cc2cc(-c3cc(OC(C)(C)C)nc(C(=O)OC)c3)ccc2N(CC(C)C)CCC1,QQDQNVPAGUQGPO-UHFFFAOYSA-N
+rxn:4:187956:226253,CCCOc1cc(OC)cc(-c2ccc(C=C3Oc4cc(OC(=O)N5CCOCC5)ccc4C3=O)cc2)c1,OUVGBTUZYAIONJ-UHFFFAOYSA-N
+rxn:4:187984:224156,CC(C)(C)OC(=O)c1ccc2c(C3CCCCC3)c(-c3cc4ccccc4n3C(=O)OC(C)(C)C)[nH]c2c1,ULBBOFNEYXTGAI-UHFFFAOYSA-N
+rxn:4:189218:224588,CC1CCN(Cc2cc(F)cc(-c3cccc(F)c3C(=O)ON3C(=O)CCC3=O)c2)CC1,QNKSAEGMEGTTOT-UHFFFAOYSA-N
+rxn:4:189424:223838,COc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1,MPESOJHZNFYHKG-UHFFFAOYSA-N
+rxn:4:189448:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(C(=O)N2CC(OC)C2)cc1Cl,NOVOAKZDPVPKJS-UHFFFAOYSA-N
+rxn:4:189790:222426,COC(=O)c1cnc(C2CCCC2)cc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2,VUTFAFULYDCQSJ-UHFFFAOYSA-N
+rxn:4:189816:223993,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(C)c2)cc(N2CCCC2)c1,DYWAWIOBQNLWMW-UHFFFAOYSA-N
+rxn:4:189849:222631,CC(C(=O)c1ccc(-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)cc1)N1C(=O)CCC1=O,DFSPOPWBQRFWJX-UHFFFAOYSA-N
+rxn:4:189866:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCC4)c3)ccc2C1,CJIJJUSDFHKYOM-UHFFFAOYSA-N
+rxn:4:189875:224484,CC(C)N(C(=O)c1ccccc1-c1cccc(C(F)(F)F)c1C(=O)N1CCOCC1)C(C)C,ISBFOPYLZDDIPB-UHFFFAOYSA-N
+rxn:4:189875:225354,CCOc1cc(-c2cccc(C(F)(F)F)c2C(=O)N2CCOCC2)cc(C(F)(F)F)c1F,UNLSRXNOKFVSCM-UHFFFAOYSA-N
+rxn:4:189918:224100,CC1CCN(CCOc2ccccc2-c2ccc([N+](=O)[O-])c(OC3CCCCC3)c2)CC1,HDVNFSHULOOJLJ-UHFFFAOYSA-N
+rxn:4:189972:225920,Cc1ccc(OCC(F)(F)F)c(-c2ccc(S(=O)(=O)N3CCOCC3)c(C(F)(F)F)c2)c1,GTJTVCRUGZDCCS-UHFFFAOYSA-N
+rxn:4:190033:224719,C#Cc1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)cc1N1CCCC(C(F)(F)F)C1,UJQWFMZDMXRZID-UHFFFAOYSA-N
+rxn:4:190073:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1ccc(Cl)c(C(=O)N2CCCC(C(F)(F)F)C2)c1,NMHHIYLXYWLBSF-UHFFFAOYSA-N
+rxn:4:190084:224761,O=C(c1c(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cccc1C(F)(F)F)N1CCCC(F)(F)C1,RDVGBZJRIUSHOR-UHFFFAOYSA-N
+rxn:4:190085:225175,O=C(c1c(-c2ccc(F)c(CN3CCOCC3)c2)cccc1C(F)(F)F)N1CCC(F)(F)CC1,GXZQHZKCYGGPBT-UHFFFAOYSA-N
+rxn:4:190111:222633,CCS(=O)(=O)N1CCCC1c1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1,JQQMOZJGZMGEAP-UHFFFAOYSA-N
+rxn:4:190156:224376,COc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1-c1cccc(S(=O)(=O)N2CCN(C)CC2)c1,PVAHSOBIZSDHJR-UHFFFAOYSA-N
+rxn:4:190159:225295,CS(=O)(=O)c1ccc(CN2CCC(F)(F)C2)c(-c2ccccc2S(=O)(=O)N2CCCC2)c1,IRECRUSITPOAPW-UHFFFAOYSA-N
+rxn:4:190163:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)cc1,ZEAGQYGECPBOAR-UHFFFAOYSA-N
+rxn:4:190238:222860,CCCCNC(=O)c1ccc(F)c(-c2cc(S(=O)(=O)N3CCC(OC)CC3)c(F)cc2F)c1,KKFRAFNCMLFBIS-UHFFFAOYSA-N
+rxn:4:190263:223814,COc1c(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cccc1N1CCC(OC)CC1,JRKVTDKMQBIHKJ-UHFFFAOYSA-N
+rxn:4:190287:226571,CC(=O)N1CCC(c2ccc(-c3cnn(CC4CCOCC4)c3)cc2C(F)(F)F)CC1,RVFKWYIXSYYHKR-UHFFFAOYSA-N
+rxn:4:190322:224395,CCS(=O)(=O)N1CCC(c2ccc(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)cc2)CC1,DWKAGOMASSMBSO-UHFFFAOYSA-N
+rxn:4:190364:222639,COc1ccc(CN2CCC(C)CC2)cc1-c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1,FZLYWCZFDZGVQU-FQEVSTJZSA-N
+rxn:4:190376:222943,COc1ccc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1S(=O)(=O)N1CCCCCC1,GISULAJZSPVQTG-UHFFFAOYSA-N
+rxn:4:190388:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4CCN(S(=O)(=O)C5CC5)CC4)cc3)c(F)ccc21,QLBPNEHRTUFLKM-UHFFFAOYSA-N
+rxn:4:190389:224975,CCN1CCN(c2ccc(-c3cc(C)cc(S(=O)(=O)N4CCC(OC)CC4)c3)cc2)CC1,MDUYPNWUQVWLSW-UHFFFAOYSA-N
+rxn:4:190395:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cccc(F)c2N2CCCC(C(=O)C(C)C)C2=O)cc1,MSLQLOKUQUSTBR-UHFFFAOYSA-N
+rxn:4:190396:224366,CC(C)C(=O)C1CCCN(c2cccc(-c3ccc(OC(F)(F)F)c(OCC4CC4)c3)c2F)C1=O,KKQVVUCEHZPCAR-UHFFFAOYSA-N
+rxn:4:190409:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1,BQAJTOCVYPPERK-UHFFFAOYSA-N
+rxn:4:190410:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc(C2CCN(C(=O)C(C)C)CC2)cc1,BANVKYAPHCTEFU-UHFFFAOYSA-N
+rxn:4:190413:223094,COc1ccc(-c2ccc([N+](=O)[O-])c(NC(C)=O)c2)c(C(=O)N2CCC(=C3CC3)CC2)c1,MNJQWXLAYOLTEJ-UHFFFAOYSA-N
+rxn:4:190416:223845,Cc1cccc(S(=O)(=O)N2CCSC2c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)c1,MMWUJIWVFHZQQC-UHFFFAOYSA-N
+rxn:4:190452:223285,COc1ccc(-c2ccccc2NS(C)(=O)=O)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,DIUIMSCPQDLVOO-UHFFFAOYSA-N
+rxn:4:190493:222890,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(c3ccccc3)S(=O)(=O)CC2)cc(C2CCCNC2)n1,CTCCVQJBLQEMLB-UHFFFAOYSA-N
+rxn:4:190493:225175,O=S1(=O)CCN(S(=O)(=O)c2ccccc2-c2ccc(F)c(CN3CCOCC3)c2)CCC1c1ccccc1,OPNVDTHEBMEGSH-UHFFFAOYSA-N
+rxn:4:190599:222722,COC(=O)CN1C(=O)C(=O)c2cc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)ccc21,FZIHQCQHJIEQNM-UHFFFAOYSA-N
+rxn:4:190669:222466,COCCN1Cc2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c(F)cc2C1=O,SXMJBMJTYRKBFJ-UHFFFAOYSA-N
+rxn:4:190750:223999,CCN1CCc2c(C(=O)OC)cc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3F)cc21,GKSBNHXMQCQUPV-UHFFFAOYSA-N
+rxn:4:190772:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)cc1,YWPJHKAPDMMOFB-UHFFFAOYSA-N
+rxn:4:190817:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4CC(=O)OC)c(F)cc2C)CC1,KXVTYZRCPYRCJC-UHFFFAOYSA-N
+rxn:4:190824:222447,COc1ccc2c(c1-c1ccc3cc(C(=O)OC(C)(C)C)ncc3c1)N=C(NC(=O)OC(C)(C)C)C2,LMDZRTXFOBOOEX-UHFFFAOYSA-N
+rxn:4:190897:224760,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1,VQWWPRKBFQIRAC-UHFFFAOYSA-N
+rxn:4:190926:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2=O,BTZTUQNPNAXDKG-UHFFFAOYSA-N
+rxn:4:190956:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c1,NNIBETBDDSFOHI-UHFFFAOYSA-N
+rxn:4:190977:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(F)F)cc1,QLSZCGNFHLCFIT-UHFFFAOYSA-N
+rxn:4:190982:222748,C#CC1OC(=O)N(S(=O)(=O)c2ccc(C)cc2)c2ccc(-c3cccc(C(=O)NCC4CCCO4)c3)cc21,LRDXRXLIKYKNPF-UHFFFAOYSA-N
+rxn:4:190985:222630,COC1CC2CCC(C1)N2C(=O)c1cccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)c1,TWCJAGYPSTXFCA-UHFFFAOYSA-N
+rxn:4:191006:224391,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1,NINJSXHJQFKOAC-UHFFFAOYSA-N
+rxn:4:191032:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)c1,OEXJPYBNRQIUQT-UHFFFAOYSA-N
+rxn:4:191041:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,GIVFPEUCSYBLBQ-UHFFFAOYSA-N
+rxn:4:191043:225431,CCOc1ccc(C(C)(C)C)cc1-c1ccc2c(c1)CN([C@H]1CC[C@H](C(=O)OC)CC1)C2=O,ZOKATDSHMXDXSU-LBZQVFOQSA-N
+rxn:4:191058:224917,COC(=O)C1CCN(C2CCc3cc(-c4ccc(N5CCC(C)CC5)cc4C)ccc32)CC1,MYEOVLGLLYEUTK-UHFFFAOYSA-N
+rxn:4:191058:225009,COC(=O)C1CCN(C2CCc3cc(-c4cc(C)cnc4OC4CCCCC4)ccc32)CC1,DNCTZYWKVFNWMS-UHFFFAOYSA-N
+rxn:4:191058:225532,CCN(CC)Cc1ccc(-c2ccc3c(c2)CCC3N2CCC(C(=O)OC)CC2)c(F)c1,GVBSLPSMLMKRJE-UHFFFAOYSA-N
+rxn:4:191062:228016,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cc(C2CCCC2)cs1,AJWLIKZFDGWUKA-UHFFFAOYSA-N
+rxn:4:191087:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c1,DNGPQOMOZADESV-UHFFFAOYSA-N
+rxn:4:191088:223100,CNS(=O)(=O)c1ccc(OC)c(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)c1,PTRQUOGAWNVMRP-UHFFFAOYSA-N
+rxn:4:191090:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc4c3C(C)(C)CN(C(=O)OC(C)(C)C)C4)c3ccccc23)CC1,IWVFLBVPNFTNSC-UHFFFAOYSA-N
+rxn:4:191092:223535,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C(C)(C)C4)cc2F)cc1,IKDCYSCCHODLKZ-UHFFFAOYSA-N
+rxn:4:191097:225568,COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,ZAHJJUQLFJMVPE-UHFFFAOYSA-N
+rxn:4:191103:223287,CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,AUWGDQGONDENTO-UHFFFAOYSA-N
+rxn:4:191103:226154,COc1cc(C(C)(C)C)ccc1-c1ccc2c(c1)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,LYOSXGKANYUQDK-UHFFFAOYSA-N
+rxn:4:191109:224247,COc1ccc(-c2ccc(C(=O)N3CCC(C)CC3)cc2F)c(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1,HQNHIIYEFJBBSE-UHFFFAOYSA-N
+rxn:4:191117:228146,CCc1cncc(-c2cccc3c2C2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)c1OC,MEODLTYSKHUNMG-UHFFFAOYSA-N
+rxn:4:191129:228319,COc1nccc(-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)c1OC,BYRNUXIWTNJVPS-UHFFFAOYSA-N
+rxn:4:191171:225827,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4ccnc(N5CCN(C)CC5)c4)cc1c32,RGIYALPZFZXMBV-UHFFFAOYSA-N
+rxn:4:191172:223166,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5ccc(N6CCNCC6)nc5)cc4)cc1c32,AFEWAPJZGOWOGI-UHFFFAOYSA-N
+rxn:4:191184:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc4oc5c(c(=O)c4c3)C(c3ccc(Cl)cc3)N(CC3CCCO3)C5=O)cnc21,YCVHQZZTOCNYJG-UHFFFAOYSA-N
+rxn:4:191194:222896,CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc3c(-c4ccc(CNC(=O)OC(C)(C)C)s4)ccc(c23)C1=O,NFEWTGOYORRKDT-UHFFFAOYSA-N
+rxn:4:192868:223539,COc1ccc(-c2ccoc2CN2CCOCC2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,FLDMQTFNSNFWDR-UHFFFAOYSA-N
+rxn:4:193104:223995,CCc1cc(-c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)ccc1N1C(=O)C=CC1=O,CHWHAYSLJPOCKN-UHFFFAOYSA-N
+rxn:4:193245:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cc(N3CCCC3)ccc2C(F)(F)F)CC1,MUZLNGUXTLOTFI-UHFFFAOYSA-N
+rxn:4:193246:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3N3CCCC3)cc2F)CC1,FUKZYTPTBIARPD-UHFFFAOYSA-N
+rxn:4:193286:222684,Cc1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc(S(=O)(=O)N2CC(F)(F)C2)c1,RUTOJLDNCGWFDJ-UHFFFAOYSA-N
+rxn:4:193328:223597,COc1ncc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc1C1CCCC1,BKEXAXYGIBLJCY-UHFFFAOYSA-N
+rxn:4:193354:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C=NC2CCS(=O)(=O)C2)cc1,GMBZPSUTXVTRLL-UHFFFAOYSA-N
+rxn:4:193354:223697,O=S1(=O)CCC(N=Cc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cc2)C1,DRCVGEWSGHJYCL-UHFFFAOYSA-N
+rxn:4:193392:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)c3ccccc23)CC1,NYHGLFMHHBCMQX-UHFFFAOYSA-N
+rxn:4:193392:223974,CC1CCN(c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)c(C(F)(F)F)c2)CC1,QGFKQUAODIBQDN-UHFFFAOYSA-N
+rxn:4:193447:222389,COc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1N1CCOCC1,BEAPCSGPBBVPGJ-UHFFFAOYSA-N
+rxn:4:193503:224155,Cc1c(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,XUWARQJCHLRWPO-UHFFFAOYSA-N
+rxn:4:193506:223658,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c4ccccc34)cc2Cl)CC1,KXGUWZRQIFLXQK-UHFFFAOYSA-N
+rxn:4:193559:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCCC2)cc1C,ZTALWNNYOHADOA-UHFFFAOYSA-N
+rxn:4:193562:223542,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,OLDVLRROGUISJC-UHFFFAOYSA-N
+rxn:4:193562:223974,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2CCC(C)CC2)cc1C(F)(F)F,ULIIVDRZURTVAB-UHFFFAOYSA-N
+rxn:4:193577:222612,O=S1(=O)CCN(Cc2cccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)c2)CC1,YZHNTDUZYPERCV-UHFFFAOYSA-N
+rxn:4:193627:224703,O=S1(=O)CCN(S(=O)(=O)c2ccccc2-c2cc(C3CCCC3)cc(C(F)(F)F)c2)CC1,JYPRMEYSLOCGJY-UHFFFAOYSA-N
+rxn:4:193697:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(C4C=CN(S(C)(=O)=O)CC4)cc3)cn2)C1,LUSMSKUQFSMFMS-UHFFFAOYSA-N
+rxn:4:193698:223559,CC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(-n2c(C)ccc2C)c1F,VDAUBLDOKGZHMS-UHFFFAOYSA-N
+rxn:4:193717:223712,C#Cc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1N1CCC(C)CC1,CNUNEATXXDYKMD-UHFFFAOYSA-N
+rxn:4:193757:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCC(C)C4)cc3F)cc2)CC1,AFPRWJCXTZCTCY-UHFFFAOYSA-N
+rxn:4:193763:224064,CC1CCCN(C(=O)c2cccc(-c3cc(C4CC4)cc(N4CCCCC4C)c3)c2F)C1,UEPVUNPQMUCZHV-UHFFFAOYSA-N
+rxn:4:193768:223508,Cc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c(C(=O)N2CCCCC2)c1F,HLLUOMOOHWLAQI-UHFFFAOYSA-N
+rxn:4:193768:224305,Cc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c2F)c(C(=O)N2CCCCC2)c1F,CLRLAEVSFLSVEP-UHFFFAOYSA-N
+rxn:4:193871:223712,COc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2Cl)cc1C12CC3CC(CC(C3)C1)C2,VRZGGBRWGRKGTF-UHFFFAOYSA-N
+rxn:4:193919:223508,Cc1c(C(=O)N2CCCC2)cc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c(C)c1C,SMLYVYIEXWVBDP-UHFFFAOYSA-N
+rxn:4:193955:222777,Cc1cc(-c2ccc(CN3CCC(O)CC3)c(Cl)c2)cc(C2(N3CCC(=O)CC3)CC2)c1,AIOMPZNFVAGWSR-UHFFFAOYSA-N
+rxn:4:193970:222891,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc(C2CCNCC2)n1,UVMYJSQDEPWSFJ-UHFFFAOYSA-N
+rxn:4:193988:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CC4(COC(C)(C)OC4)C3)c2)cc1,WORKRWIOSJJMSI-UHFFFAOYSA-N
+rxn:4:193988:224649,CC1(C)OCC2(CO1)CN(C(=O)c1cccc(-c3cc(F)ccc3OCC3CCCCO3)c1)C2,XEDILNIZOWWBAH-UHFFFAOYSA-N
+rxn:4:193989:226009,COc1cc(OC(F)(F)F)ccc1-c1ccc(S(=O)(=O)N2CCOC23CCCCC3)cc1,YAEHIRMIXWQGFM-UHFFFAOYSA-N
+rxn:4:193995:223530,Cc1cc(C)c(S(=O)(=O)N2CCCCC2C)cc1-c1cc(F)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,XPWXVSUPIOHVSI-UHFFFAOYSA-N
+rxn:4:193998:223578,Cc1cc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)c(S(=O)(=O)N2CCCCCC2)cc1C,XJBDCXVKLLOHMT-UHFFFAOYSA-N
+rxn:4:194002:224462,Cc1cc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,MLNMCZBRORYBHJ-UHFFFAOYSA-N
+rxn:4:194539:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)CN(S(=O)(=O)C(C)C)C4)cc21,DMDIQFUWQDJJCB-UHFFFAOYSA-N
+rxn:4:194563:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3nc4c(s3)C(=O)CC(c3cccc(OC)c3)C4)cc2)C1,JFJCVYZMGIKWQB-UHFFFAOYSA-N
+rxn:4:194572:224881,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1cccc(CN2CCCCCC2)c1,MDZUBJQUUNOEMY-UHFFFAOYSA-N
+rxn:4:194623:222682,CCCN1Cc2cc(-c3cccc(OC)c3NC(=O)OC(C)(C)C)ccc2OC(C)C1=O,VUBPXXWDTSVUJJ-UHFFFAOYSA-N
+rxn:4:194649:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)C=C(C(=O)N1CCOCC1)C=CO2,DINFKMXZIIHYML-UHFFFAOYSA-N
+rxn:4:194662:223699,O=C1COc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cc2CN1Cc1ccccc1F,OTMOVYFVBSGNBX-UHFFFAOYSA-N
+rxn:4:194669:222545,C[C@@H]1c2ccc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cc2CN1C(=O)C(C)(C)C,OKAVWFYXRMPHHE-GOSISDBHSA-N
+rxn:4:194670:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc4c(c3)N(CC3CCOCC3)CC4)cc2)C1,SMALHARQYWMMAP-UHFFFAOYSA-N
+rxn:4:194709:223699,O=C1COc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cc2N1CC1CCCCC1,VFTVXHTYCAYLKY-UHFFFAOYSA-N
+rxn:4:194747:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2cccc3c2CCN(C(=O)C2CCCCC2)C3)cc1,IWDPYQPPVNDQIL-UHFFFAOYSA-N
+rxn:4:194783:224484,CC1=CC(C)(C)N(S(=O)(=O)c2ccc(-c3ccccc3C(=O)N(C(C)C)C(C)C)cc2)c2ccc(C)cc21,ZXEGYXFJJWQRIA-UHFFFAOYSA-N
+rxn:4:194785:224197,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)CC(=O)c4ccccc4O5)cc3)cc2F)CC1,CMQUJHGHXWCJDP-UHFFFAOYSA-N
+rxn:4:194798:223279,Cc1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5cnc(C6CCCN6)nc5)cc4)C(=O)C23)cc1,CYVJXGKDVSPADM-UHFFFAOYSA-N
+rxn:4:196642:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(C4CCCC4)n3)cc2F)CC1,BCOQFCGLUBMBQH-UHFFFAOYSA-N
+rxn:4:197045:223698,Cc1cc(C2CCCCC2)ncc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCCC2)c1,PHHSCFYBUYDING-UHFFFAOYSA-N
+rxn:4:197056:223970,Cc1ccc(-c2ccc(N3CCC(C)CC3)c(F)c2F)cc1S(=O)(=O)N1CCC(C)CC1,VCQXLOGSYSTUGI-UHFFFAOYSA-N
+rxn:4:197984:223635,Cc1cc2c(n1-c1ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc1)CC(C)(C)CC2=O,NOJYIVGJRNUNFQ-UHFFFAOYSA-N
+rxn:4:198013:224378,CC(=O)C1=C2CCCN2c2cc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)ccc2S1(=O)=O,JTMRIQDMGCTGFB-UHFFFAOYSA-N
+rxn:4:198013:224782,CC(=O)C1=C2CCCN2c2cc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)ccc2S1(=O)=O,VKKHTBATPGJEMA-UHFFFAOYSA-N
+rxn:4:198013:224810,CC(=O)C1=C2CCCN2c2cc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)ccc2S1(=O)=O,ZIZHRCMJQGCEMM-UHFFFAOYSA-N
+rxn:4:198013:225367,CC(=O)C1=C2CCCN2c2cc(-c3cnc(N4CCC(F)(F)CC4)nc3)ccc2S1(=O)=O,CZWBNYSMJLCTKU-UHFFFAOYSA-N
+rxn:4:199500:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(C(C(=O)OC)C(=O)OC(C)(C)C)nc3)c(F)c2)CC1,TWJQNMBYNNTOQX-NCHKGXLSSA-N
+rxn:4:199555:225190,COc1cc(N2CCOCC2)ccc1-c1cc(C#N)ccc1OC1CN(C(=O)OC(C)(C)C)C1,ZRNZRIHWCWUXNN-UHFFFAOYSA-N
+rxn:4:199557:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1ccc(C#N)c(OC2CN(C(=O)OC(C)(C)C)C2)c1,LZYQIJFQEBGVGU-UHFFFAOYSA-N
+rxn:4:199628:223697,COc1ccc(C(=O)N2CCN=C2SCc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cc2)cc1,IWNTZLXXDXYXAO-UHFFFAOYSA-N
+rxn:4:199637:224998,O=C(c1cccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc(C(F)(F)F)c3)cc2)c1)N1CCCCC1,LMTOFZSDTSRZEI-UHFFFAOYSA-N
+rxn:4:199669:224367,CC(C)COc1cc(-c2cnccc2OC2CCN(C(=O)CSC3CCCC3)C2)ccc1OC(F)(F)F,SIMMBTMRCLDIAR-UHFFFAOYSA-N
+rxn:4:199681:222573,COc1ccc(-c2cc(F)cc(C(=O)NCC3CCCCC3)c2)c(C(=O)N2CCC(COc3ccc(F)cn3)C2)c1,BRYKTIHHQOIYBH-UHFFFAOYSA-N
+rxn:4:199691:222848,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1cc(CC)nc(C2CCCNC2)c1,FGDBDDHUIMNVDE-UHFFFAOYSA-N
+rxn:4:199698:222389,CCOc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,NYAGMSXLFGSEEW-UHFFFAOYSA-N
+rxn:4:199698:224400,CCOc1ccc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,IITRKYFWHUNDJJ-UHFFFAOYSA-N
+rxn:4:199710:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(COC2CCN(C(=O)OC(C)(C)C)CC2)cn1,OHIUAWUZECXGFW-UHFFFAOYSA-N
+rxn:4:199710:223858,COc1cc2c(cc1-c1ccc(COC3CCN(C(=O)OC(C)(C)C)CC3)cn1)-c1ccccc1C2(C)C,YSNUFUZRHOGLBD-UHFFFAOYSA-N
+rxn:4:199713:223076,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cccc(S(=O)(=O)NC2CC2)c1,HECUXMKYJPTNHE-UHFFFAOYSA-N
+rxn:4:199743:225431,CCOc1ccc(C(C)(C)C)cc1-c1cc(F)ccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HMAJHIXQUSZCPS-UHFFFAOYSA-N
+rxn:4:199767:223892,COC(=O)C1CCN(c2ccc(-c3ccc(OCCCN4CCN(C)CC4)cc3)c(C(=O)OC(C)(C)C)n2)CC1,JOPSLAYRWHUMRV-UHFFFAOYSA-N
+rxn:4:199768:224114,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(F)ccc1OCCc1ccccc1,SQGWLOJUDKCKTF-UHFFFAOYSA-N
+rxn:4:199769:222537,COc1cc(Cl)c(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DBDJMBQIXJPQLY-UHFFFAOYSA-N
+rxn:4:199774:225600,N#CC1(CCc2ccc(-c3cccnc3OC3CCCCC3)cc2)CCN(S(=O)(=O)c2ccccc2)CC1,ZSXYPBXVHSZXOW-UHFFFAOYSA-N
+rxn:4:199810:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccccc1N(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1,PIYYKNAUMYYLOZ-UHFFFAOYSA-N
+rxn:4:199816:224660,CCOc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1-c1ccc(C(=O)N2CCN(C)CC2)cc1,ZEDXZNVPKWATEV-UHFFFAOYSA-N
+rxn:4:199830:224239,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2ccc(F)c(F)c2OCc2ccccc2)ccc1Cl,YBIJYEHNYHXHBY-UHFFFAOYSA-N
+rxn:4:199834:223974,CC1CCN(c2ccc(-c3cc(CCN4CCN(C(=O)OC(C)(C)C)C(C)C4)ccc3F)c(C(F)(F)F)c2)CC1,IYDRAMCHRHIHBI-UHFFFAOYSA-N
+rxn:4:199867:223325,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cccc3[nH]nc(C)c23)c(C2OCCO2)c1,HTANUCQIEMBBNT-UHFFFAOYSA-N
+rxn:4:199879:223604,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(-c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc(C(C)(C)C)c1,MFPVXVVAKSONAM-JOCHJYFZSA-N
+rxn:4:199892:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(C(=O)CC#N)cn(C(=O)OC(C)(C)C)c3c2)cc1,WXKYLPXRXHLFHM-UHFFFAOYSA-N
+rxn:4:199988:222948,CCOCCn1c(=NC(=O)C2CCCCC2)sc2cc(-c3cnc(N4CCC(O)CC4)nc3Cl)ccc21,NCTXBAUNYNLKCR-UHFFFAOYSA-N
+rxn:4:199999:224845,CC(C)(C)OC(=O)N=c1c2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2ccn1C(=O)OC(C)(C)C,ZOOVBBSISUDUIA-UHFFFAOYSA-N
+rxn:4:200015:223508,COc1cc2c(cc1OC)CN(C(=O)CCn1ccc3cc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)ccc31)CC2,RSDICBVCVUICDE-UHFFFAOYSA-N
+rxn:4:200042:222702,O=C(C(=O)N1CCCc2cc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)ccc21)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12,ZZXDOLLPFDFPOS-UHFFFAOYSA-N
+rxn:4:200060:223696,COc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(-c3ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc3)cc2)CCCC4)cc1,PWBYURZGWADBPI-UHFFFAOYSA-N
+rxn:4:200095:223776,CCOC(=O)c1c(C#N)cc([N+](=O)[O-])cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2,YXSAPEDNWWQGIN-UHFFFAOYSA-N
+rxn:4:200156:223842,CCOC(=O)Cc1ncc([N+](=O)[O-])cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,WVRDURXINPZKCQ-UHFFFAOYSA-N
+rxn:4:200277:223658,O=[N+]([O-])c1ccc(OCCN2CCCC2)c(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)c1,COXOPPDVRRVWTB-UHFFFAOYSA-N
+rxn:4:200353:222628,CCOC(=O)c1cnn(CC2CCCCC2)c1-c1cc(C2CCC2)nc(C2CCCNC2)c1,DIIOGYYIGMOGMW-UHFFFAOYSA-N
+rxn:4:200357:222884,CC1CN(CCOc2ccc([N+](=O)[O-])cc2-c2cc(F)cc(C(=O)NC(C)(C)C)c2)CCO1,JJMMMWGJINEXOB-UHFFFAOYSA-N
+rxn:4:200371:223059,CC(C)(C)OC(=O)N1CC(c2cc(C#N)cc(-c3ccc(N4CCNCC4)cc3Cl)c2)C1,SXNDVHCYCHRGTD-UHFFFAOYSA-N
+rxn:4:200451:224770,Cc1cc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccc(Cl)cc3)cc2)cc(S(=O)(=O)N2CCCC2)c1,PSTFDERZIWWTOA-UHFFFAOYSA-N
+rxn:4:200452:222735,O=C(NC1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccccc3Cl)cc2)c1,GTSTVNWKLYQEQD-UHFFFAOYSA-N
+rxn:4:200454:224498,CCN1CCN(Cc2ccccc2-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc(F)c3)cc2)CC1,WLULHFIWNJFCGT-UHFFFAOYSA-N
+rxn:4:200457:222772,O=C(NC1CCCC1)c1cc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccccc3F)cc2)ccc1Cl,CIVCKCJUZZSUIU-UHFFFAOYSA-N
+rxn:4:200459:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccc(C(=O)CN2C(=O)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1,WHFLXOKTFVWFKW-UHFFFAOYSA-N
+rxn:4:200463:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(OCCCN2CCN(C)CC2)cc1,ZMKZQFKPTJOTJT-UHFFFAOYSA-N
+rxn:4:200520:222543,CC(C)(C)OC(=O)NC1(c2ccc(-c3ccc(CCC(=O)N4CCC(N5C(=O)CSC5=O)C4)cc3)cc2)CC1,FRTOLWCCESBQCB-UHFFFAOYSA-N
+rxn:4:200566:223728,CCCCCC1CCC(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3OCC)c(F)c2)CC1,REBAZALUBDFHMM-UHFFFAOYSA-N
+rxn:4:200569:222509,Cc1ccc(Cl)cc1NC(=O)c1cc(F)cc(-c2cccnc2OC2CCN(C(=O)OC3CCOCC3)C2)c1,QVHDIAYGUNPKBX-UHFFFAOYSA-N
+rxn:4:200577:222389,CCOc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN=C1c1ccccc1,XHHDHAKUEDCEFT-UHFFFAOYSA-N
+rxn:4:200589:224253,COc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(F)c(C(=O)N4CCCCC4C)c3)C2)cc1F,FDTDFZHMPWZNHL-UHFFFAOYSA-N
+rxn:4:200596:225898,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnn(CCN4CCOCC4)c3)n2)CC1,RGWCRACGZWREIQ-UHFFFAOYSA-N
+rxn:4:200601:227266,CCOCc1cc(F)ccc1-c1ccc(C(=O)N(C(=O)N2CCCCC2)C(C)(C)C)o1,URLZINBLPVFNFB-UHFFFAOYSA-N
+rxn:4:200633:225203,COc1ccc(-c2cc(C(F)(F)F)c(C3CC3)cc2C)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1,SAPQJPBPSWOKTL-UHFFFAOYSA-N
+rxn:4:200644:225341,CCOc1ccc(OC(F)(F)F)c(-c2cc(OC)c(S(=O)(=O)N3CCN(CC)CC3)cc2OC)c1,YTIJRXNSBROMRK-UHFFFAOYSA-N
+rxn:4:200652:225882,CC(C)(C)OC(=O)N1CCC(C#N)(c2cccc(-c3cnc(Cl)c(C4CCOCC4)c3)c2)CC1,FWCJYORVDBZJOP-UHFFFAOYSA-N
+rxn:4:200663:223557,CCC(=O)N1N=C(c2ccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)CC1c1ccc(OC)cc1,UNVPWNZHZMMUAC-UHFFFAOYSA-N
+rxn:4:200673:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCCC(COc2ccncc2)C1,QNDUPJFJMYTVQG-UHFFFAOYSA-N
+rxn:4:200697:225975,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccnc(N3CCOCC3)c2Cl)CC1,SBZUSVLPDUJCBB-UHFFFAOYSA-N
+rxn:4:200705:226844,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2Cl)CC1,SRTZEMDHUTWGCD-UHFFFAOYSA-N
+rxn:4:200716:225125,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2cc(F)ccc2OCC2CCOC2)CC1,DGBZVWCVHBUTTM-UHFFFAOYSA-N
+rxn:4:200716:228424,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2cc(Cl)c(F)cc2OC)CC1,QTUDOWDTLONIHP-UHFFFAOYSA-N
+rxn:4:200727:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2F)CC1,XZFLHGSMROSTCD-UHFFFAOYSA-N
+rxn:4:200730:226327,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(C4(C#N)CC4)cc3Cl)c2C(F)(F)F)CC1,VFNJITZJOVSCAT-UHFFFAOYSA-N
+rxn:4:200737:223136,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccncc3C3CCCNC3)c(C(F)(F)F)n2)C1,HRRJJNSLPHSHKE-UHFFFAOYSA-N
+rxn:4:200739:225104,CCN(CC)C(=O)c1ccc(F)c(-c2ccc(C3=NN(C(C)=O)C(c4cc(OC)ccc4OC)C3)cc2)c1,ADLGFYRPZLRMMY-UHFFFAOYSA-N
+rxn:4:200816:224952,C[C@@H]1CN(Cc2ccc(-c3cccc(CCN4CCOCC4)c3)cc2)CCN1C(=O)OC(C)(C)C,IDBBLJHJXIYJMI-HSZRJFAPSA-N
+rxn:4:200820:224765,C[C@@H]1CN(Cc2ccc(-c3cc(C(F)(F)F)ccc3N3CCCC3)c(F)c2)CCN1C(=O)OC(C)(C)C,WEZSUGPYGCTMKJ-LJQANCHMSA-N
+rxn:4:200847:224663,CN1CCN(Cc2ccc(-c3cc(C4CC4)ccc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,WHEHYBKHJXXRQR-UHFFFAOYSA-N
+rxn:4:200872:224379,Cc1cc(-c2ccccc2S(=O)(=O)N2CCN(C)CC2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1,HTRFYNWKXWCPLG-QFIPXVFZSA-N
+rxn:4:200880:224221,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4c(OCc5ccccc5)ccc(F)c4F)cc3)CC2)CC1,APVPMUOLXAPDBG-UHFFFAOYSA-N
+rxn:4:200880:225407,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C5CCCCCC5)cc4)cc3)CC2)CC1,AIMQLQGVRWYISW-UHFFFAOYSA-N
+rxn:4:200885:226059,COC(=O)C1CCN(Cc2ccc(-c3ccc(C(C)C)cc3C(C)C)cc2N2CCCCC2)CC1,SQMPSPUHCAQTJW-UHFFFAOYSA-N
+rxn:4:200897:225309,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1cc(C2CC2)cc(C(F)(F)F)c1Cl,KSDJDIVJFTYJKA-UHFFFAOYSA-N
+rxn:4:200903:223279,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cnc(C4CCCN4)nc3)cc2C(C)C)CC1,HHIBQNSWXNEYLE-UHFFFAOYSA-N
+rxn:4:200983:222584,COC(=O)C(C)Sc1nc2c(c(=O)n1-c1ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc1)SCC2,RHKTYYKLLOTXEH-UHFFFAOYSA-N
+rxn:4:201030:223167,CCOC(=O)N1CCN(C(=O)c2cc3cc(-c4ccnc(N5CCNCC5)c4)ccc3oc2=O)CC1,TVSAEPIWKFESDV-UHFFFAOYSA-N
+rxn:4:201030:224845,CCOC(=O)N1CCN(C(=O)c2cc3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)ccc3oc2=O)CC1,FDYXXEZKLBGNIK-UHFFFAOYSA-N
+rxn:4:201072:225923,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4cnc(OC5CCCC5)nc4Cl)ccc3OC)N2C1=O,GJXBVVMINDBQQV-UHFFFAOYSA-N
+rxn:4:201113:225738,CCCCOc1cc(F)c(-c2ccc(OC)c(C3C(C(=O)OC(C)C)=C(C)N=C4SCCC(=O)N43)c2)cc1F,QZBYLSGOFNBPHT-UHFFFAOYSA-N
+rxn:4:201165:224404,CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cc1,KGORRZXSIMYHCC-UHFFFAOYSA-N
+rxn:4:201186:224489,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(F)ccc5CN(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,XVSDMADLOVDGDC-UHFFFAOYSA-N
+rxn:4:201632:222778,CCOC(=O)C1(C)CC(c2ccc(-c3cncc(CNC(=O)OC(C)(C)C)c3)cn2)=NO1,PVQKDJDMCKJWCO-UHFFFAOYSA-N
+rxn:4:201632:224571,CCOC(=O)C1(C)CC(c2ccc(-c3ccc(N4CCN(C(C)C)CC4)cc3)cn2)=NO1,SHZIMMJRMJNUMT-UHFFFAOYSA-N
+rxn:4:201646:224569,COC(=O)c1cc(-c2cc(F)cc(OCC3CCCCC3)c2)nn1CC1CCOCC1,YWEOSNFEYVZGND-UHFFFAOYSA-N
+rxn:4:201654:224325,CCOC(=O)c1ncc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cc1N1CCCC1,NELMGGODVIKUEA-UHFFFAOYSA-N
+rxn:4:201686:222545,CC(C)N(C(=O)c1cncc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c1)C(C)C,JRTGESOSKVIODP-UHFFFAOYSA-N
+rxn:4:201733:223728,CCCCCC1CCC(c2ccc(-c3cc(C(=O)OC)n(CC4CCCCC4)n3)c(F)c2)CC1,KFHNKXRJZCVHQO-UHFFFAOYSA-N
+rxn:4:201744:223571,CCOc1ccc(-c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)cc1S(=O)(=O)N1CCN=C1C,RXRCWZMCZKPLFQ-UHFFFAOYSA-N
+rxn:4:201797:223021,COCCNC(=O)c1cccc(-c2ccc(N3CCCC(C(=O)CC#N)C3=O)cc2C)c1,MIWVQDROFZPHGD-UHFFFAOYSA-N
+rxn:4:201812:224891,CCOC(=O)c1ncc(-c2cc(N3CCCC3)ccc2C2CC2)cc1N1CCC(F)(F)CC1,LNZCVPGMJCGWNV-UHFFFAOYSA-N
+rxn:4:201823:225552,CCN(C)c1cc(-c2ccccc2C(=O)N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc(C2CC2)n1,POCZPWYACGQMTK-UHFFFAOYSA-N
+rxn:4:201834:223007,CC(C)(C)OC(=O)N1CC=C(c2nc(-c3cc(F)cc(C4CCNCC4)c3)cs2)CC1,FNMIVKOZCRLVMX-UHFFFAOYSA-N
+rxn:4:201836:225979,CC(C)(C)OC(=O)N1CCOC(c2nc(-c3cnc(N4CCOCC4)c(Cl)c3)cs2)C1,HJEDOBJACBOKMQ-UHFFFAOYSA-N
+rxn:4:201856:225986,O=C(c1ccccc1-c1ccccc1N1CCCS1(=O)=O)N1CC(CN2C(=O)CCC2=O)C1,OMXGNJRFPFDKEH-UHFFFAOYSA-N
+rxn:4:201859:226333,O=C(c1cccc(-c2cnccc2OC2CCN(C(=O)C3CC(F)(F)C3)C2)c1)N1CCC1,DQEXLMKZFXIXFA-UHFFFAOYSA-N
+rxn:4:201930:226425,CC1CCCCN1c1ccc(-c2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)s1,JJEBPJOCPPYMRM-UHFFFAOYSA-N
+rxn:4:201955:225167,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cc(F)cc(C(=O)N4CCCC4)c3)c2)C1,DZHRMXPLJPUBEL-UHFFFAOYSA-N
+rxn:4:202021:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C2COCCN2C(=O)OC(C)(C)C)c1,VRJISRTWAPWZBJ-UHFFFAOYSA-N
+rxn:4:202034:224324,Cc1cccc(OC2CCN(C(=O)c3ccc(-c4ccc(F)c(C(=O)N5CCC(=O)CC5)c4)o3)CC2)n1,MDUICUKBBYEDJC-UHFFFAOYSA-N
+rxn:4:202044:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(Oc5ccc(Cl)cn5)CC4)cc3)cc2)CC1,OWMSXDJUNIYMOO-UHFFFAOYSA-N
+rxn:4:202062:224022,CCOC(=O)C1CCC(n2nc(C)c(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)CC1,ZIMHZVSXDZTHNG-UHFFFAOYSA-N
+rxn:4:202066:225900,CC(C)N1CCN(C(=O)Cc2ccc(Cl)c(-c3cc([N+](=O)[O-])ccc3CN(C)C)c2)CC1,CXRJGAGXODBDMJ-UHFFFAOYSA-N
+rxn:4:202073:224132,CN(C(=O)c1ccccc1-c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1=O)C1CCCCC1,DLCGNBMBFOTWFY-UHFFFAOYSA-N
+rxn:4:202075:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C4(C)CCN(C(=O)OC(C)(C)C)C4=O)nc3)ccc2F)CC1,JRGLQEOXFBVTLC-UHFFFAOYSA-N
+rxn:4:202084:223822,Cc1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2ncccc2-c2cc(C(F)(F)F)ccc2C(=O)OCC(C)(C)C)C1,KARMTYDGAXCBJG-UHFFFAOYSA-N
+rxn:4:202085:224460,Cc1cc(F)ccc1S(=O)(=O)N1CCC(Oc2ncccc2-c2cc(C3CC3)cc(N3CCCCC3)c2)C1,AFJVDKYMLOSKPS-UHFFFAOYSA-N
+rxn:4:202087:225227,Cc1ccc(S(=O)(=O)N2CCSC2c2ccc(-c3cnc(N4CCC(C)CC4)c(Cl)c3)cc2)cc1[N+](=O)[O-],IXXREJYFNBQIGR-UHFFFAOYSA-N
+rxn:4:202098:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,GIMSRFMLIPCBEU-UHFFFAOYSA-N
+rxn:4:202130:222681,CC(C)(C)OC(=O)NCc1cccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2F)c1F,YSOMGBFIXNRXSH-UHFFFAOYSA-N
+rxn:4:202130:224313,CN1CCN(C(=O)c2cc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3F)ccc2Cl)CC1,OULGBRSASWDOMF-UHFFFAOYSA-N
+rxn:4:202130:225898,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnn(CCN4CCOCC4)c3)c(F)n2)C1,XBRHYNDWWNXJOT-UHFFFAOYSA-N
+rxn:4:202137:224669,CN1CCN(Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c(F)c2)CC1,GIZDFAZDDDRSRG-UHFFFAOYSA-N
+rxn:4:202152:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C2CC(c3ccco3)=NN2C(=O)C2CCCO2)cc1,ZMHVWYWLNHVWEY-UHFFFAOYSA-N
+rxn:4:202156:224407,O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC(F)(F)C4)c3)cc2)CC1,AIDLUAHBULDXIC-UHFFFAOYSA-N
+rxn:4:202161:223660,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)s1,NVTWJLXZMQEVQI-UHFFFAOYSA-N
+rxn:4:202170:222887,O=C(c1cccc(-c2ccccc2CN2CCOC(C(=O)N3CCCC3)C2)c1)N1CCNCC1,ZSSIFMGYTNCISP-UHFFFAOYSA-N
+rxn:4:202206:223658,O=c1ccc(S(=O)(=O)N2CCCCC2)cn1Cc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)c1,WBMCIMIDIGYYEQ-UHFFFAOYSA-N
+rxn:4:202262:223684,CC(C)(C)[Si](C)(C)OC1CCN(c2ccc(-c3cc(OCc4cccnc4)ccc3OC(F)(F)F)cn2)C1,UADCVAFGRCYTCR-UHFFFAOYSA-N
+rxn:4:202270:223279,O=C(C1CCCN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)C1)N1CCOCC1,NGXLXUZEEFNOJM-UHFFFAOYSA-N
+rxn:4:202284:225976,COc1ccc(-c2ccnc(N3CCOCC3)c2F)cc1CN1CCC(N2CCCC2)CC1,VVTMSPGDGRHKPR-UHFFFAOYSA-N
+rxn:4:202284:226185,COc1ccc(-c2ccc(C3CCOCC3)cc2)cc1CN1CCC(N2CCCC2)CC1,NMALBHZTPATOSU-UHFFFAOYSA-N
+rxn:4:202284:226288,COc1ccc(-c2ccc(OC)c(OC(C)C)c2)cc1CN1CCC(N2CCCC2)CC1,GNURONLRYWNQQE-UHFFFAOYSA-N
+rxn:4:202285:225197,COC1CCN(Cc2ccc(-c3cc(F)c(OC4CCCC4)c(Cl)c3)cc2N2CCCC2)CC1,KSNZVNPGDLRDCU-UHFFFAOYSA-N
+rxn:4:202292:224466,CC(C)(C)c1cc(-c2ccoc2)cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCOCC3)c2)c1,WHKWTJOSUZKRCV-UHFFFAOYSA-N
+rxn:4:202298:225221,COc1cc(C)c(-c2cc(N3CCCC(C)C3)ncc2F)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,AJPHZBQBTOLXIX-UHFFFAOYSA-N
+rxn:4:202307:224171,CCN1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(OCCCN4CCCC4)c(F)c3)cc2C(C)C)CC1,FFGVQONESWTITN-UHFFFAOYSA-N
+rxn:4:202310:223284,CS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cc1,RMKXVSCFSFJNLC-UHFFFAOYSA-N
+rxn:4:202310:223287,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cc1,YRVUIDVJZXDPTF-UHFFFAOYSA-N
+rxn:4:202315:222999,Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3-c3cc(Cl)cc(C4CCCNC4)c3)CC2)cc(=O)n1C,ONMVNHQSRCOWAS-UHFFFAOYSA-N
+rxn:4:202323:225312,Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)cc1-c1cnc(N2CCCN(C)CC2)nc1,XKLBHJVBGGPCLR-UHFFFAOYSA-N
+rxn:4:202328:222755,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C(=O)NCc4cccs4)cc3)CC2)CC1,HVPNKXMWQZTJRY-UHFFFAOYSA-N
+rxn:4:202328:222923,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C)c(S(=O)(=O)NC4CC4)c3)CC2)CC1,NHJVQAANQONRKF-UHFFFAOYSA-N
+rxn:4:202328:223192,CNS(=O)(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CCC(OC)CC3)CC2)ccc1F,NFIVNRNWRVAQJA-UHFFFAOYSA-N
+rxn:4:202328:225161,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(F)c(C(=O)N4CCCC4)c3)CC2)CC1,GLFRIIPCKHYLDH-UHFFFAOYSA-N
+rxn:4:202352:225711,COC(COc1ccc(-c2ccccc2C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(F)c(C)c2)cc1)OC,UFCFRGRBVMRXJA-UHFFFAOYSA-N
+rxn:4:202359:222700,N#CCCCN1C(=O)C(=O)c2cc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)ccc21,FTUNSDNFPXEQJL-UHFFFAOYSA-N
+rxn:4:202527:224705,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccc(N3CCC(C)CC3)c(F)c2F)c1,IMYMUGJZIMRGEY-UHFFFAOYSA-N
+rxn:4:202567:222538,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1,KTSSITMRPOULNV-UHFFFAOYSA-N
+rxn:4:202656:225294,CCN1CCN(c2ncc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)cccc4s3)cn2)CC1,ISIGFZFYTUYJNR-UHFFFAOYSA-N
+rxn:4:202675:223814,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c2cccnc21,CVPQPBVJSCBWRM-UHFFFAOYSA-N
+rxn:4:202676:224325,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc21,TWAZQYIOFXNKNR-UHFFFAOYSA-N
+rxn:4:202681:222809,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cc(Cl)ncc3NC(=O)OC(C)(C)C)cnc21,ZQZJHJCMAHNKAH-UHFFFAOYSA-N
+rxn:4:202683:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(CC(=O)N4CC(N5CC6CCCC6C5)C4)cc3)cn2)CC1,ZNNGVTOJWZQKCV-UHFFFAOYSA-N
+rxn:4:202708:225122,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cncc(O[Si](C)(C)C(C)(C)C)c3)ccc21,DRPQDEDAJDBSPB-UHFFFAOYSA-N
+rxn:4:202723:222697,O=C(c1cc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCCC4)cnc4ccc(Cl)cc34)cc2)ccc1Cl)N1CCC(O)CC1,TUZKLGGHANGSND-UHFFFAOYSA-N
+rxn:4:202723:223697,O=C(c1cnc2ccc(Cl)cc2c1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1)N1CCCCC1,JLTFKKDLJUOKOA-UHFFFAOYSA-N
+rxn:4:202733:224491,CCc1ccc(N2C(=O)N(Cc3ccc(-c4ccc(F)c(CN(C(C)C)C(C)C)c4)cc3F)C3CS(=O)(=O)CC32)cc1,LOTGBEHYASMQIS-UHFFFAOYSA-N
+rxn:4:202778:222868,CCn1c2c(c3cc(-c4ccccc4NC(=O)OC(C)(C)C)ccc31)CN(C(=O)OC(C)(C)C)CC2,SWDLHPKOHVLSRX-UHFFFAOYSA-N
+rxn:4:203135:223699,CCOC(=O)c1c(C)c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cn1N,PVTONKFLFHRMSO-UHFFFAOYSA-N
+rxn:4:203244:223894,CN1CCN(CCCOc2cccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(F)n3)c2)CC1,MLXSSXXGPLCJEI-UHFFFAOYSA-N
+rxn:4:203270:223559,COC(C)(C)Cn1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cn1,DSNGAATZKPLHAB-UHFFFAOYSA-N
+rxn:4:203394:223491,Cn1ncc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c1COc1ccc(Cl)cc1,XENSROVCOZFGFD-UHFFFAOYSA-N
+rxn:4:203476:223993,CSC1=NCCN1C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(C)c2)cc1,JMMULFYDGQADSC-UHFFFAOYSA-N
+rxn:4:203534:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cncc(CC(=O)N3CCC(F)(F)C3)c2)CC1,LAUHOEAYYJXJTH-UHFFFAOYSA-N
+rxn:4:203636:222697,O=C(c1cc(-c2ccc([N+](=O)[O-])c(CN3CCOCC3)c2)ccc1Cl)N1CCC(O)CC1,IHYYXAHYJIDKGX-UHFFFAOYSA-N
+rxn:4:203639:223973,CC1CCCN(c2ccc(-c3ccc(S(=O)(=O)NN4CCSCC4)cc3)c(C(F)(F)F)c2)C1,NWKNAOPYBBMJDW-UHFFFAOYSA-N
+rxn:4:203708:224975,CCN1CCN(c2ccc(-c3ccccc3C(=O)N3CC(N4C(=O)COC4=O)C3)cc2)CC1,RGOFAKQQUFNCPI-UHFFFAOYSA-N
+rxn:4:203712:223055,Cc1nc(N2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,RMTYYCHMTBLTHL-UHFFFAOYSA-N
+rxn:4:203712:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,GKQVBNVKOOZUHG-UHFFFAOYSA-N
+rxn:4:203712:224976,N#Cc1c(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cccc1N1CCCCC1,VRTXGUKHJMTBHL-UHFFFAOYSA-N
+rxn:4:203712:224986,N#Cc1cc(N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,BPHCEVFATRDKPG-UHFFFAOYSA-N
+rxn:4:203712:225472,CC1CCCCN1c1cccc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)c1,PHBFCOJMLSSPGT-UHFFFAOYSA-N
+rxn:4:203724:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)NN2CCCCC2)cc1,KTZYOYKWHOEVOI-UHFFFAOYSA-N
+rxn:4:203741:224761,O=[N+]([O-])c1cc(CN2CCC(F)(F)CC2)cc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)c1,SAHZNFOMPPJRFW-UHFFFAOYSA-N
+rxn:4:203775:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cncc(S(=O)(=O)N2CCC(OC)CC2)c1,HPJOLNPPBUOXDX-UHFFFAOYSA-N
+rxn:4:203783:224192,CCN1CCN(Cc2ccc(F)cc2-c2cc([N+](=O)[O-])c(OC)cc2N2CCC(F)(F)CC2)CC1,PCZLIGWUYPICIN-UHFFFAOYSA-N
+rxn:4:203797:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(/C(C=[N+](C)C)=C/N(C)C)cc3)c(F)ccc21,ZPTBWSMEBKRKKB-UHFFFAOYSA-N
+rxn:4:203810:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cncc(CC(=O)N4CCCC(C)C4)c3)cc2)CC1,UXHOEQQWFHQWTE-UHFFFAOYSA-N
+rxn:4:203832:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCN(C)CC2)c(C(F)(F)F)c1,NPGBLVVQOVYYEG-UHFFFAOYSA-N
+rxn:4:203881:222442,CS(=O)(=O)N1CCC(Cc2cccc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)n2)CC1,DKNHKGKCQJQNFU-UHFFFAOYSA-N
+rxn:4:203881:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cccc(CC3CCN(S(C)(=O)=O)CC3)n2)CC1,KWOKNVSORAYYDA-UHFFFAOYSA-N
+rxn:4:203882:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccc(S(=O)(=O)N3CCN(CC)CC3)cc2)c1F,QUAXCTZVZGGLTQ-UHFFFAOYSA-N
+rxn:4:203897:223901,CCS(=O)(=O)N1CCN(c2cccc(-c3ccc(OCCN4CCC(C)CC4)c(Cl)c3)c2)CC1,CBNNVJWECYMWKD-UHFFFAOYSA-N
+rxn:4:203926:224321,CCN1CCN(c2cc(OC)cc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)c2)CC1,MXWMOMXTDTUBBI-UHFFFAOYSA-N
+rxn:4:203970:222858,CN(C)CCNC(=O)c1cccc(-c2ccc(F)c(C(=O)N3CCC(N(C)C)CC3)c2)c1,RUONHMBPWDSMBE-UHFFFAOYSA-N
+rxn:4:203971:225172,CN(C)C1CCN(C(=O)c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2F)CC1,IOYNLMGIPWCQCA-UHFFFAOYSA-N
+rxn:4:203972:222960,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C)cc(C4CCNCC4)c3)c(C)c2)CC1,SUUBTQSDABZNQY-UHFFFAOYSA-N
+rxn:4:203972:225859,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)c(Cl)c3)c(C)c2)CC1,BAGDQPCDCYQOLB-UHFFFAOYSA-N
+rxn:4:204028:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1cccc(CN2CCN(S(C)(=O)=O)C[C@@H]2C)c1,KKHJBZWXFKSKOV-CPFIQGLUSA-N
+rxn:4:204031:225232,CC1CCN(c2cc(-c3ccccc3N3CCN(S(=O)(=O)C(C)C)CC3)cnc2Cl)CC1,MOJKSEXAOHWRQE-UHFFFAOYSA-N
+rxn:4:204041:223844,O=C(c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)c1)N1CCN(c2ccccc2)CC1,WOXZSOCYSGRTLO-UHFFFAOYSA-N
+rxn:4:204043:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)CC1,OZYRTFFSZBIVSX-UHFFFAOYSA-N
+rxn:4:204054:222774,O=C(c1ccc(-c2ccc(F)c(CN3CCC(O)CC3)c2)o1)N1CCCN(C2CCOC2)CC1,AUMGCTYFRJSYGX-UHFFFAOYSA-N
+rxn:4:204065:225384,Cc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1,VBVZZYXYFPMXLL-UHFFFAOYSA-N
+rxn:4:204079:222614,Cc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)cc1-c1ccc(S(=O)(=O)NC2CC2)cc1C(F)(F)F,YAGWYPASWSIVGP-UHFFFAOYSA-N
+rxn:4:204082:223814,O=C(c1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c1)N1CCC(N2C(=O)COCC2=O)CC1,FAPATIWAYVOOTO-UHFFFAOYSA-N
+rxn:4:204107:224731,Cc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cccc(S(=O)(=O)OCC(C)(C)C)c4)cc3)=NC2(C)C)cc1,OZOYMWUWHDKJQU-UHFFFAOYSA-N
+rxn:4:204111:225192,O=C1C(=Cc2ccc(-c3ccc(-c4cc(OC5CCCCC5)ncc4F)cc3)o2)SC(=S)N1N1CCOCC1,ONRVKKBNZUHNRA-UHFFFAOYSA-N
+rxn:4:204116:226114,CCCC(=O)c1ccc(-c2cccc(C(=O)N3CCCN(C4CCOC4)CC3)c2)c(C)c1,ARBJCXIQHSBWRO-UHFFFAOYSA-N
+rxn:4:204118:222517,O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccccc2C(=O)N2CCCN(C3CCSC3)CC2)ccc1F,WCULEHDPDFUMBM-UHFFFAOYSA-N
+rxn:4:204147:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(CN2CCCCC2C)c(N2CCCC2)c1,OGAVVYHAXINKSH-UHFFFAOYSA-N
+rxn:4:204155:224676,Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1-c1ccccc1C(=O)N1CCN(C)CC1,YEGDYYJWVJBOFZ-UHFFFAOYSA-N
+rxn:4:204159:225227,Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1cnc(N2CCC(C)CC2)c(Cl)c1,PYMKKMUBXGPAIK-UHFFFAOYSA-N
+rxn:4:204160:225312,Cc1cc(-c2cnc(N3CCCN(C)CC3)nc2)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C,HZYBFRFRBRYZTG-UHFFFAOYSA-N
+rxn:4:204182:225833,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,ZQUOQRRZVQCOCF-UHFFFAOYSA-N
+rxn:4:204182:225849,Cc1cc(-c2cnc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,LZYBLGUNVIHCHJ-UHFFFAOYSA-N
+rxn:4:204182:225867,Cc1cc(-c2cnc(Cl)c(N3CCCCC3)c2)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,GXVYHHRFTSRMFQ-UHFFFAOYSA-N
+rxn:4:204184:225633,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1ccc(N2CCCCCC2)nc1,MHSIIOKFCATIQF-UHFFFAOYSA-N
+rxn:4:204403:223923,COCn1ncc(-c2ccc(F)c(C(=O)N(C)C3CCCCC3)c2)c1C12CCCC1O2,RTXCRLRLQPJVKB-UHFFFAOYSA-N
+rxn:4:204508:222647,Cc1cc(-c2ccnc3c2CCN3C(=O)OC(C)(C)C)c(C)cc1NC(=O)OC(C)(C)C,VKMRQAHXIBBFII-UHFFFAOYSA-N
+rxn:4:204551:224917,COC(=O)C1C2CCC1CN(c1nc(-c3ccc(N4CCC(C)CC4)cc3C)cs1)C2,VOOFDMMYKPZKJK-UHFFFAOYSA-N
+rxn:4:204556:223866,CC(C)(C)OC(=O)N1CCOc2ncc(-c3ccccc3CN3C(C)(C)CCCC3(C)C)cc21,DLEBNRUNTDTFQV-UHFFFAOYSA-N
+rxn:4:204595:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2nc3c(s2)CCN(C(=O)OC(C)(C)C)CC3)c1,UYWVYIBCAKOJCE-UHFFFAOYSA-N
+rxn:4:204600:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2,WIELEKMZWNTSSJ-UHFFFAOYSA-N
+rxn:4:204615:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(Cl)c3cccnc3c2OC(=O)N2CCCCC2)c1,VWWIDFBTDPCVNQ-UHFFFAOYSA-N
+rxn:4:204642:222582,O=C(NCCN1CCOCC1)c1cccc(-c2ccc3c(c2)CCN3C(=O)CN2CCOCC2)c1,DHQUWGBKINLATE-UHFFFAOYSA-N
+rxn:4:204680:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(n2)CCN(C(=O)OC(C)(C)C)CC3)cc1,PCCYPCMUTNTDAA-UHFFFAOYSA-N
+rxn:4:204681:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1,QJYMQZLPOPSSHG-UHFFFAOYSA-N
+rxn:4:204689:224753,CCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3cc(S(=O)(=O)N4CCCC4)ccc3C)ccc21,NMQQKDADCJCBEH-UHFFFAOYSA-N
+rxn:4:204693:225653,CC1CCCCN1c1ccc(-c2cccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)c2)cn1,SICFNZLDGURRMR-UHFFFAOYSA-N
+rxn:4:204710:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnn2c1OC[C@@H](O[Si](C)(C)C(C)(C)C)C2,KTZXJOFMUBZWJB-SFHVURJKSA-N
+rxn:4:204722:223346,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccc3c(c2)CNC3=O)c1,XNAURHJHSMXAMA-UHFFFAOYSA-N
+rxn:4:204764:223057,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cc(Cl)nc(C4CCCNC4)c3)cc2)C1,GXZXKJJRHDPLLP-UHFFFAOYSA-N
+rxn:4:204764:223058,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CCCNC4)c3)cc2)C1,BODPWKZXDMTREU-UHFFFAOYSA-N
+rxn:4:204774:225373,CCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(-c3cc(OC)c(OC(F)(F)F)cc3Cl)ccc21,YXPJSJCUTOWOHC-UHFFFAOYSA-N
+rxn:4:204781:228377,Cc1cc(-c2ccccc2C(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cc([N+](=O)[O-])c1,WLYYTKZHTNPRMP-UHFFFAOYSA-N
+rxn:4:204798:226885,O=C(C1=CN(c2cccc(-c3cc(C(F)(F)F)cc(Cl)c3F)c2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,XFJYLUUYKGRTMU-UHFFFAOYSA-N
+rxn:4:204809:225296,O=C(C1=CN(c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1,HQDQLNUNMOGCJZ-UHFFFAOYSA-N
+rxn:4:204815:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(F)cc5)CC4)c4ccccc34)ccc21,FWEMNEUJBUBOMB-UHFFFAOYSA-N
+rxn:4:204815:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(F)cc5)CC4)c4ccccc34)cc2)CC1,ZUTJAQFNKGEDAX-UHFFFAOYSA-N
+rxn:4:204829:224820,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cccc(S(=O)(=O)N2CCOCC2)c1,DNOXGSLRLKLCME-UHFFFAOYSA-N
+rxn:4:204874:224699,O=C1C2C(c3ccc(-c4ccc(Oc5cc(F)cc(F)c5)cc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc([N+](=O)[O-])c1,GKEIASXOXSDMCB-UHFFFAOYSA-N
+rxn:4:204900:225087,CN(C)CCCOc1ccc(-c2ccc3c4c(cccc24)C(=O)N(CCN2CCOCC2)C3=O)cc1F,ZZRXIWXVOAWPLI-UHFFFAOYSA-N
+rxn:4:204944:222545,CC(C)c1ccc(C2Oc3ccc(-c4ccc(C(C)(C)NC(=O)OC(C)(C)C)cc4)cc3C3CC(c4ccco4)=NN32)cc1,NEWTZZJXNZJJNH-UHFFFAOYSA-N
+rxn:4:204955:223076,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(S(=O)(=O)NC5CC5)c4)ccc2OC3C2CCCCC2)cc1,WQKIDDCWJVYRJT-UHFFFAOYSA-N
+rxn:4:205252:223482,Cc1c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cnn1CC(F)(F)F,KLYZYQCKXQPRCB-UHFFFAOYSA-N
+rxn:4:205931:223679,C=C1CC(C#N)(c2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(CC)CC4)c(C)c3)cn2)C1,YTHIMJJYDWRKOC-UHFFFAOYSA-N
+rxn:4:206036:223597,COc1nc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cn1C1CCCO1,UNABBIMMQQMBIF-UHFFFAOYSA-N
+rxn:4:206404:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(S(=O)(=O)N3CCCC3)c2)CC1,LWEXKYCWKJVILW-UHFFFAOYSA-N
+rxn:4:206449:223787,CN1CCN(CCCOc2ccc(-c3cnc(C(=O)N4CCOCC4)c(F)c3)cc2F)CC1,PMAFNFQCRNLTDI-UHFFFAOYSA-N
+rxn:4:206490:223598,COc1ncc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)n1C1CCCCO1,CSMONKHRTZRZCQ-UHFFFAOYSA-N
+rxn:4:206543:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCOCC2)c(C(F)(F)F)c1,UDMWUBMAFIMCAZ-UHFFFAOYSA-N
+rxn:4:206635:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(N2CCC(F)(F)CC2)c1C#N,DZXIUWSVPRYBAE-UHFFFAOYSA-N
+rxn:4:206636:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(N2CCCC(F)(F)C2)ccc1C#N,GPBRPUBFKYIHFQ-UHFFFAOYSA-N
+rxn:4:206636:222722,N#Cc1ccc(N2CCCC(F)(F)C2)cc1-c1cccc(S(=O)(=O)N2CCC(O)CC2)c1,SBGBCBXQMKEQIT-UHFFFAOYSA-N
+rxn:4:206637:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(N2CCC(F)(F)CC2)ccc1C#N,HGICMRIAZAVUFU-UHFFFAOYSA-N
+rxn:4:206637:222722,N#Cc1ccc(N2CCC(F)(F)CC2)cc1-c1cccc(S(=O)(=O)N2CCC(O)CC2)c1,LMRYKUKJOLEMKT-UHFFFAOYSA-N
+rxn:4:206638:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2CCCC(F)(F)C2)cc1C#N,YTOXMMRKVNGAQP-UHFFFAOYSA-N
+rxn:4:206639:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2CCC(F)(F)CC2)cc1C#N,DAAOVSVMKGRRCN-UHFFFAOYSA-N
+rxn:4:206639:222722,N#Cc1cc(N2CCC(F)(F)CC2)ccc1-c1cccc(S(=O)(=O)N2CCC(O)CC2)c1,CUXPYWCPXXKFMJ-UHFFFAOYSA-N
+rxn:4:206640:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(N2CCCC(F)(F)C2)c1C#N,HESMLOLTXZGPRJ-UHFFFAOYSA-N
+rxn:4:206641:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(C#N)c1N1CCCC(F)(F)C1,HEIZTNRCLABEAF-UHFFFAOYSA-N
+rxn:4:206642:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(C#N)c1N1CCC(F)(F)CC1,CVDFBQALYBDSNB-UHFFFAOYSA-N
+rxn:4:206642:222722,N#Cc1cccc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c1N1CCC(F)(F)CC1,BAKUIJQAAHAXJB-UHFFFAOYSA-N
+rxn:4:206643:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C#N)ccc1N1CCCC(F)(F)C1,GJQYPBDHEHDZKM-UHFFFAOYSA-N
+rxn:4:206643:222722,N#Cc1ccc(N2CCCC(F)(F)C2)c(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c1,XJXGJTVRXMJSOL-UHFFFAOYSA-N
+rxn:4:206644:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C#N)ccc1N1CCC(F)(F)CC1,YJRVDYUJURZLMU-UHFFFAOYSA-N
+rxn:4:206644:222722,N#Cc1ccc(N2CCC(F)(F)CC2)c(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c1,GGQKMKKIVACJEX-UHFFFAOYSA-N
+rxn:4:206645:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C#N)c(N2CCCC(F)(F)C2)c1,KIIXXAXTHOCZFT-UHFFFAOYSA-N
+rxn:4:206647:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2CCCC(F)(F)C2)c(C#N)c1,OMNWXDGNZYCSBZ-UHFFFAOYSA-N
+rxn:4:206717:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cncc(CN4CCC(F)(F)CC4)c3)c2)CC1,BDKDLDIPEPXXEN-UHFFFAOYSA-N
+rxn:4:206728:223500,Cc1cc(F)c(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1-n1cnc(C2CC2)c1,DIAVLYBWYZDPLH-UHFFFAOYSA-N
+rxn:4:206735:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C(F)(F)F)cnc1N1CCCCC1,HCCYWVTXQJXIRP-UHFFFAOYSA-N
+rxn:4:206738:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCCCC2)cc1C(F)(F)F,FJCCTHJVBBRMKR-UHFFFAOYSA-N
+rxn:4:206757:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCCC(C(F)(F)F)C2)c(Cl)c1,RDICCSMDBWMHGC-UHFFFAOYSA-N
+rxn:4:206761:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(F)c1,HIMSRVWFSXTYIJ-UHFFFAOYSA-N
+rxn:4:206863:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(Cl)cc(C(=O)N2CCN(C)CC2)c1,XWHQKTDOAFKKKQ-UHFFFAOYSA-N
+rxn:4:206867:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(F)cc(C(=O)N2CCN(C)CC2)c1,AGHPWXVOVKWMCV-UHFFFAOYSA-N
+rxn:4:206870:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CCN(C)CC2)c(F)c1,DVQMRPVISSTDHP-UHFFFAOYSA-N
+rxn:4:206872:222615,CC(C)Cc1cc(-c2c(Cl)cc(F)cc2C(=O)N2CCN(C)CC2)cc(C2CCNCC2)c1,MDUQVOCZYSFJRU-UHFFFAOYSA-N
+rxn:4:206919:222612,CN1CCN(Cc2cc(Cl)ccc2-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)CC1,NNIIVRXCWHUZDV-UHFFFAOYSA-N
+rxn:4:206923:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(Cl)c(CN3CCN(C)CC3)c2)c(C(F)(F)F)c1,KOFFKEGTLYWSFG-UHFFFAOYSA-N
+rxn:4:206942:222718,CCN1CCN(c2cc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)cc(F)c2F)CC1,IUKZXJCEVVFXAK-UHFFFAOYSA-N
+rxn:4:206943:224485,Cc1nc(C2CCN(S(C)(=O)=O)CC2)sc1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,JJUKNEHUQVBCEY-UHFFFAOYSA-N
+rxn:4:206957:224330,CC1CCN(S(=O)(=O)c2cncc(-c3ccc(Cl)c(C(=O)N4CCC(=O)CC4)c3)c2)CC1,QXNZMTKVUNSGTQ-UHFFFAOYSA-N
+rxn:4:206978:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C(F)(F)F)cnc1N1CCC(C)CC1,NBYQNIAGKJVEPL-UHFFFAOYSA-N
+rxn:4:206982:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1,BCCPHUBTPQYMRJ-UHFFFAOYSA-N
+rxn:4:206985:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1,PYXFQBUBAYBQGG-UHFFFAOYSA-N
+rxn:4:206990:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,BGAIOYNICCCEBX-UHFFFAOYSA-N
+rxn:4:206998:223953,COCCN1CCN(c2cc(F)cc(-c3nc(C4CCCCC4)cc(C4CC4)n3)c2)CC1,PVNZYRDSNGRECW-UHFFFAOYSA-N
+rxn:4:207026:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C(=O)N4CCC5(CC4)OCCO5)c3)c(F)c2)CC1,YWJNFIYCMWDNOT-UHFFFAOYSA-N
+rxn:4:207026:224998,O=C(c1cccc(-c2cncc(C(=O)N3CCC4(CC3)OCCO4)c2)c1)N1CCCCC1,WMMITIWFTQLKJR-UHFFFAOYSA-N
+rxn:4:207040:222514,COc1ccc(-c2cc(C)ccc2CN2CCN(C)CC2)cc1S(=O)(=O)NC1CCCCC1,WJGKSHSMZGLXKJ-UHFFFAOYSA-N
+rxn:4:207077:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCC(=C5CCC5)CC4)c3)c3ccccc23)CC1,OXRBQTCTEJCXDU-UHFFFAOYSA-N
+rxn:4:207763:223832,CCN1CC=C(c2c[nH]c3cc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4OC)ccc23)CC1,ZPEFWWAXMKJJIX-UHFFFAOYSA-N
+rxn:4:207789:222827,CN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3cc(F)c(S(=O)(=O)NC4CC4)cc3F)ccc21,WQHYVHPBZLEGAW-UHFFFAOYSA-N
+rxn:4:207854:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1,XMPKUVMVLGQZOI-UHFFFAOYSA-N
+rxn:4:207910:223490,Cc1cc(N2C(=O)c3oc4ccc(-c5ccc(C)c(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c(=O)c3C2c2cccc(F)c2)no1,FTFQTSNJCBYKJN-UHFFFAOYSA-N
+rxn:4:209788:223810,Cc1cc(-c2cnccc2N2CCCC(F)(F)C2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,CKOHXRCXAGXUTN-UHFFFAOYSA-N
+rxn:4:210660:223506,CC12CC(c3ncc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)(C1)C2,HUQUNQYLADXXBX-UHFFFAOYSA-N
+rxn:4:211103:223834,CCN1CCn2c3c(c4cc(-c5cc(C)c(S(=O)(=O)N6CCN(C)CC6)c(C)c5)ccc42)CCCC31,UNPINFUCUHKJPZ-UHFFFAOYSA-N
+rxn:4:212495:222792,Cc1[nH]c2ccc(-c3cc(NC(=O)OC(C)(C)C)ccc3F)c3c2c1CCN1C(=O)OC(C)(C)C31C,OLYMCHPXCLCMRJ-UHFFFAOYSA-N
+rxn:4:212523:225312,CN1CCCN(c2ncc(-c3ccc(C(=O)N4CCN=C4SCc4ccc([N+](=O)[O-])cc4)o3)cn2)CC1,ZBZVIOOFRCBMQC-UHFFFAOYSA-N
+rxn:4:212545:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnn(CC4CN(S(=O)(=O)c5ccccc5OC(F)(F)F)C4)c3)cc21,IAZURNNISQGQIH-UHFFFAOYSA-N
+rxn:4:212568:222684,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,LJPLYSAFDGPTSH-UHFFFAOYSA-N
+rxn:4:212577:224250,Cc1cccc(OCC(=O)N2CC(Cn3cc(-c4cc(C(=O)N5CCCCC5C)ccc4F)cn3)C2)c1,YRXHBKHWWKLMPI-UHFFFAOYSA-N
+rxn:4:212578:222684,CCSc1ccccc1C(=O)N1CC(Cn2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,VZSWNSUSEBPQTA-UHFFFAOYSA-N
+rxn:4:212581:225801,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(-c3ccnc(OC4CCCC4)c3Cl)cc2)cc1,WSVXGUMVYIRIHS-UHFFFAOYSA-N
+rxn:4:212592:225984,CN(C)C(=O)C1(CCCc2cccc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)CCN1C,CWKNHABWORZZDJ-UHFFFAOYSA-N
+rxn:4:212606:225175,CC(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(F)c(CN4CCOCC4)c3)cn2)C1,ZFAHCKGXACVALX-UHFFFAOYSA-N
+rxn:4:212608:224489,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3cc(F)ccc3CN(C(C)C)C(C)C)cn2)C1,MEOUCLDACUBUIV-UHFFFAOYSA-N
+rxn:4:212615:223812,O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1,VCWMIYVAXPSJSL-UHFFFAOYSA-N
+rxn:4:212630:224309,CC(C)(C)[Si](C)(C)Oc1ccc(Cl)c(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)c1F,IUVDXIDACBZGEZ-UHFFFAOYSA-N
+rxn:4:212630:224834,CN(C)S(=O)(=O)n1cc(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)c(C(F)(F)F)n1,IYDULDHJRUBPGM-UHFFFAOYSA-N
+rxn:4:212649:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)CC)C3)nc2)c1,DQKYZRYBAKFLCO-UHFFFAOYSA-N
+rxn:4:212691:222913,CN(C(=O)c1ccc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,QTDRZMDZXPLPJF-UHFFFAOYSA-N
+rxn:4:212711:226001,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4ccc(OC(F)(F)F)c(C#N)c4)o3)CC2)nn1,QPUDALQSHPSDIX-UHFFFAOYSA-N
+rxn:4:212719:224672,CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(-c3ccc(N4CCN(CC)CC4)cc3Cl)cc2)SC1=S,BQWHLKWYDWVSKG-UHFFFAOYSA-N
+rxn:4:212720:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)N(C)C4CCCN(C(=O)OC(C)(C)C)CC4)cn3)c(F)ncc21,QNAXVVCCPVVTAK-UHFFFAOYSA-N
+rxn:4:212722:223482,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)C(=O)N2CCN(C)CC2)cc1,HXFHDXXLWXFMHD-UHFFFAOYSA-N
+rxn:4:212723:223777,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5ccc6c(c5F)CCN(C(=O)OC(C)(C)C)C6)cc4)CC3)n2)cc1,WDGZYPLFSAJLOG-UHFFFAOYSA-N
+rxn:4:212732:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(S(=O)(=O)c3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cn3)cc2)CC1,GWBNMBSILCFKKJ-UHFFFAOYSA-N
+rxn:4:212743:228851,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4ccn5ncnc5c4)cc3)CC2)CC1,LMZGJFLUEKAIBP-UHFFFAOYSA-N
+rxn:4:212772:223598,CN(C)CCN(C(=O)c1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1)c1nc2ccc(Cl)cc2s1,JUZDRGYKEFKGJJ-UHFFFAOYSA-N
+rxn:4:212776:224373,COc1ccc(-c2ccc(C(=O)N(CCN(C)C)c3nc4c(F)cc(F)cc4s3)cc2)cc1S(=O)(=O)N1CCCC1,QMVUUVXGDAFASL-UHFFFAOYSA-N
+rxn:4:212818:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4cnc(SCC(=O)N5CCc6ccccc65)n4-c4cccc(Cl)c4)cc3)cc2Cl)CC1,ZDORBRUULLPWSA-UHFFFAOYSA-N
+rxn:4:213011:224772,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)cn2)C1,AIOGTWMZLCWUTH-UHFFFAOYSA-N
+rxn:4:213043:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCCN(C(=O)OC(C)(C)C)C2)nc1,OZQZQSYMDOPRDB-UHFFFAOYSA-N
+rxn:4:213045:223045,CC(C)NC(=O)c1ccc(F)c(-c2cnc(OCC3CCCN(C(=O)C4CCC4)C3)nc2)c1,XKHKTPIZEKYNDT-UHFFFAOYSA-N
+rxn:4:213053:225898,O=C(C1CC(F)(F)C1)N1CCCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,ODMUHDBEMCDKBY-UHFFFAOYSA-N
+rxn:4:213053:226612,O=C(C1CC(F)(F)C1)N1CCCC(COc2ncc(-c3cnc(N4CCCCC4)nc3)cn2)C1,URAYRGOECNQKEM-UHFFFAOYSA-N
+rxn:4:213075:226332,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccccc3C(=O)N3CCC3)n2)CC1,BUBLGCGNDZFYKY-UHFFFAOYSA-N
+rxn:4:213097:223167,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccnc(N4CCNCC4)c3)cn2)CC1,QAKKKXDCJYYDQS-UHFFFAOYSA-N
+rxn:4:213123:226844,O=C(Cc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,UBZLPEUQWFQZNW-UHFFFAOYSA-N
+rxn:4:213127:225833,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(N4CCCCC4)c3F)ccn2)CC1,CXABZUZDGISGIR-UHFFFAOYSA-N
+rxn:4:213131:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,KLPHOWGXWLUUMT-UHFFFAOYSA-N
+rxn:4:213171:222634,Cc1noc(C)c1CC(=O)N1CCC(Oc2ncccc2-c2ccc(OCCNC3CCCC3)c(F)c2)CC1,JCHBISGMMBROBB-UHFFFAOYSA-N
+rxn:4:213177:223574,Cc1cccc(OCC2CCCN(C(=O)c3cncc(-c4cccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)C2)n1,LTXIDTXBNKNGGN-UHFFFAOYSA-N
+rxn:4:213188:225044,C[Si](C)(C)c1cc(-c2ccccc2C(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)cc([Si](C)(C)C)c1,WXEMNQANIZJCTI-UHFFFAOYSA-N
+rxn:4:213215:228466,COC(=O)c1sc(Cl)cc1-c1cnc(OCC2CCN(CC3CCOCC3)CC2)nc1,UFGINJFYHCSYKO-UHFFFAOYSA-N
+rxn:4:213217:224658,CCN1CCN(c2ncc(-c3ccc(N4CCN(C(C)=O)CC4)cc3)cc2C(=O)OC(C)(C)C)CC1,PQDWWTMOBGLTDB-UHFFFAOYSA-N
+rxn:4:213222:223018,CC1(C)Oc2ccc(-c3ccc(C(=O)N4CCN(Cc5nc(C(C)(C)C)cs5)CC4)o3)cc2NC1=O,MIYSBKFIKAERLB-UHFFFAOYSA-N
+rxn:4:213223:222872,COc1ccc(-c2ccc(C(=O)NC3CC3)cc2OC)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,SWUPXZAHKIKDMT-UHFFFAOYSA-N
+rxn:4:213253:223111,CC(C)c1n[nH]c2cccc(-c3cnccc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c12,SCUJZGYRFQSSBJ-UHFFFAOYSA-N
+rxn:4:213262:225267,CCCOc1ccc(-c2ccc(C(=S)N3CCN(C(=S)c4ccc(N(C)C)cc4)CC3)cc2)c(C(F)(F)F)c1,RYUDXMYXDYQSSF-UHFFFAOYSA-N
+rxn:4:213267:222593,Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(N4CCN(C(C)C)CC4)nc3C(=O)OC(C)(C)C)cc2)c1,HRNARQKNVLHQJU-UHFFFAOYSA-N
+rxn:4:213268:222639,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc([C@H](C)NC(=O)OC(C)(C)C)cc4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,AZTZUHSNYUYVEZ-IZVMNLJQSA-N
+rxn:4:213281:223112,CC(C)c1ccc2[nH]ncc2c1-c1cccnc1OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,ZMMLICTYOUUMGZ-UHFFFAOYSA-N
+rxn:4:213337:222871,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccc(C(=O)NCC(C)C)c(Cl)c4)cc3s2)CC1,NWLZECIPYIMBCF-UHFFFAOYSA-N
+rxn:4:213353:224590,CC1CCN(Cc2ccc(-c3cnccc3OC3CCN(C(=O)CN4C(=O)c5ccccc5C4=O)C3)c(F)c2)CC1,BFHZNOCUTMBLPK-UHFFFAOYSA-N
+rxn:4:213377:226831,CCCN1C(=O)C(=Cc2c(Oc3ccc(-c4cn(CCC)nc4C(F)(F)F)cc3)nc3ccccn3c2=O)SC1=S,CKILNPMGXFYMAN-UHFFFAOYSA-N
+rxn:4:213474:224476,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5c(c4)ncn5C4CCCCC4)ccc2-3)[nH]1,MGYCOUPGHYAIRQ-DHUJRADRSA-N
+rxn:4:213474:224669,CN1CCN(Cc2ccc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)OC(C)(C)C)[nH]5)ccc3-4)c(F)c2)CC1,BDZZPUSPQWIEDF-UMSFTDKQSA-N
+rxn:4:213480:223037,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(Cl)c(C(=O)NC5CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZKUKTBWUSQNFPF-VAALAVNJSA-N
+rxn:4:213480:224756,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)ccc4C(=O)N4CCOCC4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,BSJSRGBKUHTZAX-SIGULORKSA-N
+rxn:4:213494:223533,COC(=O)C(C#N)c1ncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cn1,GCYJNNSECUQUCU-UHFFFAOYSA-N
+rxn:4:213645:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C(=O)N2CC(Cn3cc(Cl)cn3)C2)c(F)c1,RHZRFPJDLRWMFJ-UHFFFAOYSA-N
+rxn:4:213653:226120,CCCOc1cc(C)c(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c(C)c1,ZZCLIFPXXNCSQT-UHFFFAOYSA-N
+rxn:4:213657:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnn([C@H]4CON(C(=O)OC(C)(C)C)C4)c3)c(F)ncc21,HSMZIXNBKKBTEN-OAQYLSRUSA-N
+rxn:4:213660:224405,CCOC(=O)N1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cn2)CC1,SWAKMNLJEJRIBW-UHFFFAOYSA-N
+rxn:4:213664:222546,CCC(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,ZECVFTYZUADREL-UHFFFAOYSA-N
+rxn:4:213784:224265,Cc1cc(F)ccc1S(=O)(=O)N1CC(Cn2cc(-c3cc(C4CCCCC4)cc(C(F)(F)F)c3)cn2)C1,JRIBUJIPCHYZBC-UHFFFAOYSA-N
+rxn:4:213794:222853,OC1CCN(Cc2ccc(-c3cnn(CC4CN(CC5CCCCO5)C4)c3)cc2)CC1,ITSNWQFFTHWLJM-UHFFFAOYSA-N
+rxn:4:213805:223608,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)cn2)C1,ZQVJVOIJDWTGBA-UHFFFAOYSA-N
+rxn:4:213817:222546,Cc1nc(C)c(C(=O)N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCCC4)c(F)c3)C2)s1,MDKDEYZNURYGDH-UHFFFAOYSA-N
+rxn:4:213837:226428,CC1CCCCN1c1csc(-c2ccn(C3CCCN(C(=O)OC(C)(C)C)C3)n2)c1,HRRYZAIXTAYCLS-UHFFFAOYSA-N
+rxn:4:213851:223574,Cc1cnn(CC2CN(C(=O)c3cc(-c4cccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3C)C2)c1,WIWXLUPLKSSAQH-UHFFFAOYSA-N
+rxn:4:213871:224997,O=C(c1ccc(-c2cnc(OC3CCCN(S(=O)(=O)c4ccc(F)c(F)c4)C3)nc2)cc1)N1CCCCC1,JEJTZWOUGNRGMV-UHFFFAOYSA-N
+rxn:4:213872:222929,OC1CCN(c2cc(-c3cnn(CC4CN(CC5CCCCC5)C4)c3)cnc2Cl)CC1,BZDUTGISCZCOIQ-UHFFFAOYSA-N
+rxn:4:213874:225982,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOCC4)cc3F)ccn2)CC1,IHMGLQTVWBKOIE-UHFFFAOYSA-N
+rxn:4:213880:224128,CN(C(=O)c1ccc(-c2ccncc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1)C1CCCCC1,YVMUFKZDPBQFEQ-UHFFFAOYSA-N
+rxn:4:213887:222684,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)nc2)CC1,PCIJJRPEGQFNNQ-UHFFFAOYSA-N
+rxn:4:213901:222915,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccc(C(=O)NC3=NCCS3)cc2)CC1,BGJDBJMTGFBUMH-UHFFFAOYSA-N
+rxn:4:213902:222915,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C(=O)NC4=NCCS4)cc3)cc2F)CC1,ARHRTAMGFPOTIM-UHFFFAOYSA-N
+rxn:4:213910:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1cccnc1OC1CCN(S(=O)(=O)N2CCOCC2)C1,XOZIPMFIQUMSBY-UHFFFAOYSA-N
+rxn:4:213910:223176,CS(=O)(=O)NCc1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,ZCHJIUGUUMSYNP-UHFFFAOYSA-N
+rxn:4:213918:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1,MGSZPARXHXAJEI-UHFFFAOYSA-N
+rxn:4:213972:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,OFTLPCZPEBNFIH-UHFFFAOYSA-N
+rxn:4:213996:224156,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1cc2ccccc2n1C(=O)OC(C)(C)C,AGBDKAPDIWXXPH-UHFFFAOYSA-N
+rxn:4:214011:225999,COC(=O)c1ccc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC4)c3C)cc2)c([N+](=O)[O-])c1,DPGBKBGBBMSZKU-UHFFFAOYSA-N
+rxn:4:214028:227880,N#CCCc1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1,VPYPFIZWJSKRBC-UHFFFAOYSA-N
+rxn:4:214067:223845,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)no3)CC2)cc1,MICIUGLPIODLSH-UHFFFAOYSA-N
+rxn:4:214078:226997,CCCOc1cc(C)cc(-c2ccc(CN3CCN(CC)CC3)c(N3CCCCC3)c2)c1,VRNQYHRWYHZYLB-UHFFFAOYSA-N
+rxn:4:214153:224915,Cc1cc(N2CCCCC2C)ccc1-c1cnn2c1OC[C@H](N(C)C(=O)OC(C)(C)C)C2,MBYQJVBSXFAELS-ROPPNANJSA-N
+rxn:4:214183:224060,COc1c(C(C)(C)C)cc(-c2ccc3c(C4CN(C(=O)OC(C)(C)C)C4)ncn3c2)cc1C(C)(C)C,DPNRPZPPOXHZGV-UHFFFAOYSA-N
+rxn:4:214231:225978,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4ccc(N5CCOCC5)nc4F)cccc3n2)C1,YYSCIMBBIOLAKU-UHFFFAOYSA-N
+rxn:4:214323:223344,O=C1Cc2c(cccc2-c2ccc3ccn(CC(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c3c2)N1,UFOJJTXXSJDYPU-UHFFFAOYSA-N
+rxn:4:214390:225977,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cc(Cl)cnc4N4CCOCC4)ccc2OC32CCN(C(C)=O)CC2)cc1,VSAYROUBKNJHGX-UHFFFAOYSA-N
+rxn:4:214535:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cn(-c4ccc([N+](=O)[O-])cc4F)nc3C(F)F)cc2)CC1,QGSVOSMPNNGRSQ-UHFFFAOYSA-N
+rxn:4:214631:222582,CS(=O)(=O)N1CCC(Cc2cnc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)C1,UXACVQYBNYHUIO-UHFFFAOYSA-N
+rxn:4:214660:225518,CCCCCOc1ncc(C)cc1-c1cnn(C)c1C(=O)N1CCC(C(F)(F)F)CC1,FKZQVUIHDVCSLS-UHFFFAOYSA-N
+rxn:4:214661:225756,COC(=O)c1cc(-c2c(C(=O)N3CCCC(C(F)(F)F)C3)cnn2C)c(C(C)C)cn1,QICCMUMLCITEGL-UHFFFAOYSA-N
+rxn:4:214663:224718,Cn1ncc(-c2ccc(OCCN3CCOCC3)nc2)c1C(=O)N1CCCC(C(F)(F)F)C1,UZLAMJIUMACXST-UHFFFAOYSA-N
+rxn:4:214671:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnn(C4CCN(C(=O)C5CC5)CC4)c3)ccc2F)CC1,WUBSYNWELYKKOO-UHFFFAOYSA-N
+rxn:4:214705:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(CC4CCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,RXUDPBLMQNHCIH-UHFFFAOYSA-N
+rxn:4:214711:224769,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCCC4)cc3C(F)(F)F)cn2)CC1,VVMQHIGLUZVQIT-UHFFFAOYSA-N
+rxn:4:214734:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cnc(N2CCN(S(=O)(=O)C3CC3)CC2)c(Cl)c1,VQNFWMVHNBUQMV-UHFFFAOYSA-N
+rxn:4:214742:223972,CC1CCCCN1c1ccc(-c2cc(N3CCC(N(C)C)CC3)ccc2C#N)c(C(F)(F)F)c1,ZHLVKVZPRUMTSO-UHFFFAOYSA-N
+rxn:4:214743:224198,CCN1CCN(Cc2ccc(-c3cccc(N4CCC(N(C)C)CC4)c3C#N)c(F)c2)CC1,IOIAHQIKQGBHRY-UHFFFAOYSA-N
+rxn:4:214747:224194,CCN1CCN(Cc2ccc(-c3cccc(C#N)c3N3CCC(N(C)C)CC3)cc2Cl)CC1,BIUIISIZGGXVPS-UHFFFAOYSA-N
+rxn:4:214764:222628,CC(C)CN1CCN(c2cncc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)c2)CC1,PFLYKPNACSZYSQ-UHFFFAOYSA-N
+rxn:4:214775:224371,COC(=O)C1CCN(c2ncc(-c3cnc(OC4CCN(C5CCSC5)CC4)nc3)cn2)CC1,GGEHLAJZMRVNAF-UHFFFAOYSA-N
+rxn:4:214778:225991,CC(C)Cn1nc(C(F)(F)F)cc1-c1cnc(N2CCN(C(C)C)CC2)cc1C(F)(F)F,RRYDOPQKJINBQB-UHFFFAOYSA-N
+rxn:4:214781:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)CC1,PWODFTQULZFUOC-UHFFFAOYSA-N
+rxn:4:214802:223712,COc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCCC3)C2)cc1C12CC3CC(CC(C3)C1)C2,FWUVCTVIHKZVMW-UHFFFAOYSA-N
+rxn:4:214803:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3)cc2F)CC1,DKOCWQUZIJMHMD-UHFFFAOYSA-N
+rxn:4:214804:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cnccc3N3CCOC(C(=O)N4CCCC4)C3)c3ccccc23)CC1,QILRFHVLYGEBLW-UHFFFAOYSA-N
+rxn:4:214810:222465,Cc1nc(CN2CCN(c3cccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)c3)CC2)co1,ANGOXTSIRIKYBK-UHFFFAOYSA-N
+rxn:4:214830:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c(F)c2)CC1,SETZQDCPBMDVRJ-RSSXGHEXSA-N
+rxn:4:214835:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)CC1,SIHILCAOPCAZPU-UHFFFAOYSA-N
+rxn:4:214836:223787,CN1CCN(CCCOc2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)cc2F)CC1,NEWMIKMKNYJDGY-UHFFFAOYSA-N
+rxn:4:214836:225093,CCCOc1c(Cl)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1OCC,GLDMZUHKGFLECH-UHFFFAOYSA-N
+rxn:4:214836:227480,CCCOc1nccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1Cl,LFCZUPNPHDCQJC-UHFFFAOYSA-N
+rxn:4:214837:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,VKAGRVPVFVYNIP-UHFFFAOYSA-N
+rxn:4:214837:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,CBUDNMQFAFPNSF-UHFFFAOYSA-N
+rxn:4:214859:223974,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCC(c5ccn(C)n5)C4)cc3)c(C(F)(F)F)c2)CC1,CGQURKONXOZXFR-UHFFFAOYSA-N
+rxn:4:214863:222466,Cc1cc(N2CCN(Cc3ccccc3)CC2)ncc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,PCTRMOULEGEZLR-UHFFFAOYSA-N
+rxn:4:214870:226236,CCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCCC(C(=O)N2CCOCC2)C1,XQBOIZVEJGLDBI-UHFFFAOYSA-N
+rxn:4:214870:226981,CCCCCCc1ccsc1-c1cc(Cl)cnc1N1CCCC(C(=O)N2CCOCC2)C1,OUMRFYNZWLKPSR-UHFFFAOYSA-N
+rxn:4:214871:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,TZTVZYVFBOOLEU-UHFFFAOYSA-N
+rxn:4:214874:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,OOYABGLYKNHWGI-UHFFFAOYSA-N
+rxn:4:214880:223077,Cc1cc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,LZCOJDICTIEZGC-UHFFFAOYSA-N
+rxn:4:214883:225743,COC(=O)Cc1ccc(OC)c(-c2cnccc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c1,GVLHZWRSJLHZHW-UHFFFAOYSA-N
+rxn:4:215099:222746,C[C@@H]1Cn2ncc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)c2CN1C(=O)OC(C)(C)C,ZIDSYSWNGWDIRL-MRXNPFEDSA-N
+rxn:4:215107:223712,COc1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CCC3)cc1C12CC3CC(CC(C3)C1)C2,SLIUIWZUSBUJLI-UHFFFAOYSA-N
+rxn:4:215140:224060,COc1c(C(C)(C)C)cc(-c2ccc3ccn(CC(=O)N4CCN(C)CC4)c3c2)cc1C(C)(C)C,KDVOUSNSJZBMKW-UHFFFAOYSA-N
+rxn:4:215148:223035,CC(C)(C)OC(=O)N1Cc2cnc(-c3cccnc3NC(=O)C(C)(C)C)n2CC1(C)C,QQROSLJIVLPOAH-UHFFFAOYSA-N
+rxn:4:215197:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC2CN(c3ccccn3)CC21,NKTZOVKXGLHOGT-UHFFFAOYSA-N
+rxn:4:215198:226713,COCCOc1cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)c(F)cn1,SURCMUAHHIFHNX-UHFFFAOYSA-N
+rxn:4:215219:226236,CCCCOc1ncc(C)cc1-c1ccc2ccc(N3CCOC(C(=O)N4CCOCC4)C3)nc2c1,SQLLKBHSZSTJBS-UHFFFAOYSA-N
+rxn:4:215233:225655,CC1CCN(c2cncc(-c3ccc(CN4CCC(N5c6ccccc6N(C)S5(=O)=O)CC4)cc3)c2)CC1,KVDLNFRUYCFWOL-UHFFFAOYSA-N
+rxn:4:215234:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4oc(C(=O)N5CCC(c6nc7ccccc7[nH]6)CC5)c(C)c4c3)cc2)CC1,YAMPPFRFWNRKPS-UHFFFAOYSA-N
+rxn:4:215276:222545,COc1cccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)(C)NC(=O)OC(C)(C)C)cc4)ccc2OC3c2ccncc2)c1,SYMBBTBLQJMBSG-UHFFFAOYSA-N
+rxn:4:215391:223606,NS(=O)(=O)c1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1[N+](=O)[O-],DKYHDHCYNDYCCL-UHFFFAOYSA-N
+rxn:4:215707:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(C#N)c(N4CCOCC4)c3)cn2)CC1,SGNZCMNZSWRALN-UHFFFAOYSA-N
+rxn:4:215772:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCC(C#N)CC4)c3)cn2)CC1,DTHLXNOZCJBAMH-UHFFFAOYSA-N
+rxn:4:215904:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)cc2)CC1,AJIKCCSXQKNXHP-UHFFFAOYSA-N
+rxn:4:215907:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)nc3)c2)CC1,DNUBRRQWIJWFIE-UHFFFAOYSA-N
+rxn:4:215909:224247,CC1CCN(C(=O)c2ccc(-c3cc([N+](=O)[O-])c(N4CCN(C)CC4)cc3F)c(F)c2)CC1,RXBYGWHQDLASJY-UHFFFAOYSA-N
+rxn:4:215912:223835,Cc1cc(F)c(-c2cnc(N3CCN(S(C)(=O)=O)CC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(C)CC1,RONQMCMRFKFKFD-UHFFFAOYSA-N
+rxn:4:215937:223508,Cc1nc(C(=O)N2CCN(C)CC2)ccc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,VIOGJIYOMUEVJR-UHFFFAOYSA-N
+rxn:4:215950:223998,CCN1CCN(c2ncc(C)cc2-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)CC1,XRNJWEPBHBMACV-UHFFFAOYSA-N
+rxn:4:215956:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,WRBWUYJDMICQRS-YHBQERECSA-N
+rxn:4:215970:224656,COc1ccc(-c2cnc(SC)nc2N2CCC3(CC2)OCCO3)c(F)c1OC1CCCC1,BQIVXSMVJMBGFI-UHFFFAOYSA-N
+rxn:4:215974:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2ccc(N3CCC(N4CCOCC4)C3)nc2)c1,CNJXCHXLFVWAFV-UHFFFAOYSA-N
+rxn:4:216155:223588,Cc1cc(-c2ccc(C(=O)N3CCc4ncncc4C3)o2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,MEVDKQMQCTVONN-UHFFFAOYSA-N
+rxn:4:216179:223699,O=C(c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)c1Cl)N1CCc2[nH]ncc2C1,CFOMXEHCQGDZTL-UHFFFAOYSA-N
+rxn:4:216213:223602,CC(=O)N1CCC[C@H]1c1nc2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2[nH]1,BEVGBDUQTMVFRC-QFIPXVFZSA-N
+rxn:4:216270:223698,Cn1c(C2CC(=O)N(c3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCCC5)c4)cc3)C2)nc2ccccc21,CZAUUPHVOQNKHC-UHFFFAOYSA-N
+rxn:4:216293:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2c2cncnc2C3)cc1S(=O)(=O)NC1CCCCC1,LSKUWTWDISNMLS-UHFFFAOYSA-N
+rxn:4:216319:225213,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(N5CCN(C)CC5)cc4Cl)ccc3S2(=O)=O)n1,FLFJNGHZYMSLKC-UHFFFAOYSA-N
+rxn:4:216319:225365,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4c(F)c(F)c(OC(C)C)c(F)c4F)ccc3S2(=O)=O)n1,UAPRHQQYLZBQLD-UHFFFAOYSA-N
+rxn:4:217084:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC=CCC4)nc3)cc2[N+](=O)[O-])CC1,UEVKGUUVHYSLMJ-UHFFFAOYSA-N
+rxn:4:217905:224325,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)ccc2OC32CCN(C)CC2)o1,WLJBNOUKKDCWIA-UHFFFAOYSA-N
+rxn:4:218587:225997,CCOc1ncc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)cc1C(F)(F)F,PEARHSRGEAHYNL-UHFFFAOYSA-N
+rxn:4:218664:225875,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCOCC5)cc4Cl)cn3)C2)cc1,QQLBUFOFYMGZSS-UHFFFAOYSA-N
+rxn:4:218664:225977,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4cc(Cl)cnc4N4CCOCC4)cn3)C2)cc1,BQEDKAZOILQBQC-UHFFFAOYSA-N
+rxn:4:218666:222721,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(C5CCNCC5)nc(C(F)(F)F)c4)c3)C2)nn1,WJLVJVOPBOOBPM-UHFFFAOYSA-N
+rxn:4:218666:225233,CC1CCCN(c2cc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)cnc2Cl)C1,QLKFAPBINGRBBE-UHFFFAOYSA-N
+rxn:4:218676:224390,Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1-c1cnc(-c2ccc(C(F)(F)F)cc2)nc1,VQOPNHYKXCUSAO-UHFFFAOYSA-N
+rxn:4:218676:225274,COCCOc1c(F)cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2C)c(C)c1F,MZFAPDYCLCPLCJ-UHFFFAOYSA-N
+rxn:4:218681:224286,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cn3)CC2)CC1,CRDNBJQIIGEHKS-UHFFFAOYSA-N
+rxn:4:218696:224958,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cccc(OCC2CCCCO2)c1,JFLNYRRXABQRPG-UHFFFAOYSA-N
+rxn:4:218700:227251,CCCOc1ccc(F)cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(F)cc3)C2)cc1,GNFHQVJCGJOSJM-UHFFFAOYSA-N
+rxn:4:218706:223749,COc1ccc(Cn2cnc3cc(-c4c(C)nn(CCC(=O)N5CCN(S(=O)(=O)c6ccc(C)c(C)c6)CC5)c4C)ccc32)cc1,JXRGATUJUPELNV-UHFFFAOYSA-N
+rxn:4:218745:224496,CCN1CCN(Cc2cccc(-c3cnc(OCC4CCCN(C(=O)Cn5c(=O)oc6ccccc65)C4)nc3)c2)CC1,YYEHRGCNGHVUCW-UHFFFAOYSA-N
+rxn:4:218817:223670,COCc1cn(C2CCN(C(=O)c3ccc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)o3)C2)nn1,PYUIIJWATDWRTI-UHFFFAOYSA-N
+rxn:4:218818:223835,COc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c(C(=O)N2CC(Cn3ccnn3)C2)c1,FJBIPVFSXTUZLU-UHFFFAOYSA-N
+rxn:4:218824:222742,CN(CC1CN(c2ncc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cn2)C1)S(=O)(=O)C1CC1,LRGBTDPOLPQMFE-UHFFFAOYSA-N
+rxn:4:218867:225639,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccnc3N3CCC(C)CC3)c2)no1,CQNXUTOPJBYKCB-UHFFFAOYSA-N
+rxn:4:218877:223816,C[Si](C)(C)CCOCn1c(-c2cnc(OC3CCCN(C(=O)CN4CCOC4=O)C3)nc2)cc2c(Cl)ccnc21,GHSSMJAHKNFLTF-UHFFFAOYSA-N
+rxn:4:218888:224325,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)C1,UMYWTSPJSVCKAE-UHFFFAOYSA-N
+rxn:4:218909:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(OCC4CCCN(Cc5ccccn5)C4)nc3)c(F)cn2)CC1,LZYUZOBQLKRMAX-UHFFFAOYSA-N
+rxn:4:218919:224681,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(C(=O)N4CCCCC4)c(F)c3)C2)cn1,ABOJWAPXMZZWBB-UHFFFAOYSA-N
+rxn:4:218970:224759,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,DRSUJKSLHAWBOZ-UHFFFAOYSA-N
+rxn:4:218971:225172,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)CC2)s1,FCVARZKZXJTOKG-UHFFFAOYSA-N
+rxn:4:219011:225623,CN(c1cnc(-c2cccc(OC3CCOCC3)c2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,GCLKDYYECWHURW-UHFFFAOYSA-N
+rxn:4:219053:223006,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(F)c(C5CCNCC5)c4)c3)cn2)CC1,MVBOAAWEHRYOEC-UHFFFAOYSA-N
+rxn:4:219053:225883,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cnc(C5CCOCC5)c(Cl)c4)c3)cn2)CC1,ORYIYXUCECOZGM-UHFFFAOYSA-N
+rxn:4:219058:224089,CC1CCN(CCOc2ccc(-c3ccccc3CC(=O)N3CCN(c4cc(-c5ccc(F)cc5)n[nH]4)CC3)cc2)CC1,RPTRQXNACYNPAW-UHFFFAOYSA-N
+rxn:4:219062:225232,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2cnc(Cl)c(N3CCC(C)CC3)c2)C1,FBDUUMGWBZJJLV-UHFFFAOYSA-N
+rxn:4:219145:222718,COc1cc2ncnc(N3CCC(Oc4ccncc4-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)C3)c2cc1OC,BAFWMEHVLPGTIA-UHFFFAOYSA-N
+rxn:4:219162:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3cnc(OC4CCN(C(=O)Cc5cn(C)c6ccccc56)CC4)nc3)c2)C1,MXEQQRPHRCBPLR-UHFFFAOYSA-N
+rxn:4:219242:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnnn3C3CN(C(=O)OC(C)(C)C)C3)c(F)ccc21,XZKFXUWJRBHAIY-UHFFFAOYSA-N
+rxn:4:219353:222730,CCCc1cc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)cc(C2CCNCC2)n1,ICPRSEJUURANQF-UHFFFAOYSA-N
+rxn:4:219354:224969,Cc1cc(-c2cnc(N3CCC(N(C)S(=O)(=O)C4CC4)C3)nc2)ccc1C(=O)OC(C)(C)C,JEOFDMLTTIHIKZ-UHFFFAOYSA-N
+rxn:4:219364:223945,O=C(c1cncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1)N1CCCC(Oc2ncc(Cl)cn2)C1,FISAIFNZPBGUCG-UHFFFAOYSA-N
+rxn:4:219384:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)c(F)c2)CC1,AMBLTTPARLGCJA-ALOJWSFFSA-N
+rxn:4:219433:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)o2)c1,YVDAXDDTMOAEJH-UHFFFAOYSA-N
+rxn:4:219452:226844,Cc1nc(-c2ccnc(C(=O)C(F)(F)F)c2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,CLHNSSTYMQADBN-UHFFFAOYSA-N
+rxn:4:219471:225737,CCCCOc1c(F)ccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCC3)C2)c1F,CMMKCCXCTKSBRF-UHFFFAOYSA-N
+rxn:4:219477:225212,CN1CCN(c2cc(F)cc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)CC1,SUBSZUFVCJCYMN-UHFFFAOYSA-N
+rxn:4:219478:224772,Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2cc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)ccc2Cl)CC1,JXGGVOVEODUYKD-UHFFFAOYSA-N
+rxn:4:219479:225867,O=C(c1cc(-c2cnc(Cl)c(N3CCCCC3)c2)ccc1Cl)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,MLPVKVQVCDVSLH-UHFFFAOYSA-N
+rxn:4:219501:226095,CCCCOc1cc(C)cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)c1,XMMQTLMGQKBWBW-UHFFFAOYSA-N
+rxn:4:219534:224627,CN(C)C1CN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)c3)cc2)C1,VCSPCPZNTDHBGR-UHFFFAOYSA-N
+rxn:4:219535:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccccc1C(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2)CC1,UGDRFAVKNHSELY-UHFFFAOYSA-N
+rxn:4:219537:222604,COc1ccc(-c2ccccc2S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1S(=O)(=O)NC1CCCC1,MZYLBHVABFCAID-UHFFFAOYSA-N
+rxn:4:219537:225004,O=C1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)cc2)CC1,QAEDVEHNFSXOIQ-UHFFFAOYSA-N
+rxn:4:219552:224318,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccc(C(=O)N2CCN(C)CC2)c(F)c1,XZFMOAVLGUHREC-UHFFFAOYSA-N
+rxn:4:219559:223488,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(-c3cc4cc(Oc5ccccc5)ccc4n3C(=O)OC(C)(C)C)o2)CC1,YGCZQAKGTRZDMX-UHFFFAOYSA-N
+rxn:4:219638:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(C4CCCN4C(=O)OC(C)(C)C)nnn3c2)cc1,AGIVBWPENPLJBS-UHFFFAOYSA-N
+rxn:4:219653:224718,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCN5CCOCC5)nc4)nc3s2)CC1,JOVRYIONHLUKIF-UHFFFAOYSA-N
+rxn:4:219655:222773,O=C(NC1CCOCC1)c1ccc(-c2ccc(CC(=O)N3C4CCC3CC(n3cncn3)C4)cc2)cc1,UPYRRAWWKXWAOH-UHFFFAOYSA-N
+rxn:4:219664:224018,O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCOCC4)cc3s2)CC1,WUFRWPBGKVIHGG-UHFFFAOYSA-N
+rxn:4:219690:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc2c(cc1F)nnn2C1CCN(C(=O)OC(C)(C)C)CC1,CYJSVZBKSXXREK-UHFFFAOYSA-N
+rxn:4:219759:223951,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(OCCN5CCN(C)CC5)c(F)c4)cc2)OC3)CC1,LPBYNEHPSYLRTK-UHFFFAOYSA-N
+rxn:4:219867:225324,CCN1CCN(c2ncc(-c3cn(CCC(C)C)nc3C(F)(F)F)cc2[N+](=O)[O-])CC1,RCERJMDTKGUDJY-UHFFFAOYSA-N
+rxn:4:219868:223671,CCN1CCN(c2c(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cncc2[N+](=O)[O-])CC1,FPLWFQFXIFQZHC-UHFFFAOYSA-N
+rxn:4:219934:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2)cc1OCC,YDJGDUCMSRCXKH-UHFFFAOYSA-N
+rxn:4:219937:223670,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)n3)C2)c1,SOEAKXVDPGMUJQ-UHFFFAOYSA-N
+rxn:4:219955:222684,O=C(C1CN(c2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CCO1)N1CCSCC1,ALKGYMPOMJJXED-UHFFFAOYSA-N
+rxn:4:219975:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)c(F)c2)CC1,YIVOCVWMFZWMHL-UHFFFAOYSA-N
+rxn:4:219997:223697,O=c1c(N2CCN(c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)cc3)CC2)nccn1C1CC1,FNTOHAJJMLKTAE-UHFFFAOYSA-N
+rxn:4:220060:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)cc1,WWMSGYPUJBKXPO-UHFFFAOYSA-N
+rxn:4:220131:224818,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cnc1N1CC(N2CC3CCCC3C2)C1,WVNSKRHUEVCQPW-UHFFFAOYSA-N
+rxn:4:220136:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,LHTQAWKGRJFNSW-UHFFFAOYSA-N
+rxn:4:220158:224773,Cc1cc(-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)ccc1S(=O)(=O)N1CCCC1,MJFAGDFAKJSTMW-UHFFFAOYSA-N
+rxn:4:220209:225354,CCOc1cc(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)cc(C(F)(F)F)c1F,VKKJIDCLODAYIS-UHFFFAOYSA-N
+rxn:4:220404:223992,Cc1ccc(-c2c(C(=O)N3CCN(C)CC3)cnn2C)cc1S(=O)(=O)N1CCN(C)CC1,JTSRDVGDRVOZBI-UHFFFAOYSA-N
+rxn:4:220405:224825,CON(C)C(=O)c1cc(-c2cnc(N3CCC(N4CCOC4=O)C3)nc2)cc([N+](=O)[O-])c1,OEPNTURUPMCWBH-UHFFFAOYSA-N
+rxn:4:220413:223754,CC1CCN(CCCOc2ccc(-c3cnc(N4CCC(N(C)C)CC4)nc3)cc2Cl)CC1,GWKPTNWAPFELFQ-UHFFFAOYSA-N
+rxn:4:220431:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCN(c3cccc(C)c3C)CC2)nc1,GHBCBNAXCCCTFY-UHFFFAOYSA-N
+rxn:4:220533:224974,CN1CCN(Cc2ccccc2-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)CC1,LBLLOZPWDGEEGS-UHFFFAOYSA-N
+rxn:4:220547:222929,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc(Cl)c(N6CCC(O)CC6)c5)c(C)c4)C3C2=O)c1,HCLGJMIVZCTRPB-UHFFFAOYSA-N
+rxn:4:220935:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc2Cl)CC1,WMNVPWHQKAJCFN-UHFFFAOYSA-N
+rxn:4:221098:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cnc(OCC4CCN(C(=O)c5cn(C)nc5C(F)F)CC4)nc3)cc2)C1,OQSRKMAMFQJTTQ-UHFFFAOYSA-N
+rxn:4:221114:229129,CCOc1ccc(-c2cnc(C)cc2Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,OXMYGBPCEJMBEV-UHFFFAOYSA-N
+rxn:4:221121:222395,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C(=O)NC6CCC(O)CC6)c5)ccc43)CC2)CC1,HRCAOHWQDKKSQD-UHFFFAOYSA-N
+rxn:4:221121:222457,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(NC(=O)c6cccc(C(F)(F)F)c6)c5)ccc43)CC2)CC1,YCKZPWYSOHIWIM-UHFFFAOYSA-N
+rxn:4:221126:222612,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCC(O)CC6)ccc5F)cc4)nnn3c3ccsc23)C1,OOGMLWMJWRHVOX-UHFFFAOYSA-N
+rxn:4:221149:222722,N#Cc1ccc(N2CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)cn3)C2)nc1,ACWHISLTQFYUPZ-UHFFFAOYSA-N
+rxn:4:221169:222826,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cn3)C2)cn1,HLFWRYVALPHOHK-UHFFFAOYSA-N
+rxn:4:221171:222632,CCc1ncnc(N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)C2)c1F,IJRPEDDPRBTEDW-UHFFFAOYSA-N
+rxn:4:221171:223650,CCc1ncnc(N2CCCC(COc3ncc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)c1F,FSGNPFXOMFVHOG-UHFFFAOYSA-N
+rxn:4:221175:228746,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(C#N)c4Cl)cn3)C2)C(=O)C1=O,PSRUTCCSKGFLSC-UHFFFAOYSA-N
+rxn:4:221180:223812,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)nn1C,JCHXJFQKUVFJNL-UHFFFAOYSA-N
+rxn:4:221181:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)n(C)n5)C4)nc3)c(F)c2)CC1,NCVPYSGIMSUEFD-PECFQXNXSA-N
+rxn:4:221194:222742,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cn3)CC2)cn1C,QDSNJLSFAWOAMG-UHFFFAOYSA-N
+rxn:4:221194:223294,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4csc(N5CCNCC5)n4)cn3)CC2)cn1C,YECHAXAPEIPULV-UHFFFAOYSA-N
+rxn:4:221226:223698,O=S(=O)(c1cc(-c2cnc(OCC3CCCN(Cc4cn5ccccc5n4)C3)nc2)ccc1OC(F)(F)F)N1CCCC1,YLUSHCZOSGRVIQ-UHFFFAOYSA-N
+rxn:4:221232:225975,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccnc(N5CCOCC5)c4Cl)cn3)C1)CCOC2,BPAFACHPJZWUBB-UHFFFAOYSA-N
+rxn:4:221233:224705,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(N6CCC(C)CC6)c(F)c5F)c4)CC3)ccc2n1,GKXPWZABWQYXFR-UHFFFAOYSA-N
+rxn:4:221244:224022,O=C(Cc1ccccc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1,OBRVKXRBTLCFHH-UHFFFAOYSA-N
+rxn:4:221347:224008,O=C(c1cc(-c2cnc(OCC3CCN(c4ncc(F)cn4)CC3)nc2)cc([N+](=O)[O-])c1)N1CCOCC1,MEEGFTORBQZXPE-UHFFFAOYSA-N
+rxn:4:221392:224592,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)CC2)n1,MGBVOIBMSHLJJI-UHFFFAOYSA-N
+rxn:4:221414:226691,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cncc(-c4cnc(Cl)c(N5CCCC5)c4)c3)CC2)cn1C,GNMIYTGRVAYVLR-UHFFFAOYSA-N
+rxn:4:221434:226592,CC(C)Oc1cc(F)c(F)cc1-c1ccccc1C(=O)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,PYKLIJRKOHYPEM-UHFFFAOYSA-N
+rxn:4:221439:223173,O=C(c1cc(-c2ccc3c(c2)C(O)CS3(=O)=O)ccc1Cl)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,WCLIWGBBKVFNAD-UHFFFAOYSA-N
+rxn:4:221443:222720,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4ccc(N5CCNCC5)cc4C(F)(F)F)c3)CC2)n1,MMYSNOAJLUSCEB-UHFFFAOYSA-N
+rxn:4:221456:227259,COc1ccc(CSC)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,SSSKKKPUZRULEZ-UHFFFAOYSA-N
+rxn:4:221491:224061,CCCC1CCC(c2ccc(-c3cnc(N4CC5CCCC5(COc5ncc(F)cn5)C4)nc3)c(F)c2)CC1,ZGMSXDHRVKPFRY-UHFFFAOYSA-N
+rxn:4:221494:224811,CN(C(=O)c1cncc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1)C1CN(c2cc3c(nn2)CCC3)C1,LRAVAUCKAWTVFL-UHFFFAOYSA-N
+rxn:4:221497:223896,COc1cccc(-c2cnc(OC3CCN(C(=O)c4cnc5ccccc5n4)CC3)nc2)c1C(=O)N(C(C)C)C(C)C,JWJHPPLCDISNHJ-UHFFFAOYSA-N
+rxn:4:221498:222915,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(C(=O)NC5=NCCS5)cc4)c23)CC1,FYBSLDFPLPYXPV-UHFFFAOYSA-N
+rxn:4:221641:222723,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,ZLQFLXGORFMSFK-UHFFFAOYSA-N
+rxn:4:221666:223699,O=C1c2ccccc2S(=O)(=O)N1Cc1nnnn1-c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1,VIRBEUGTLQRGBX-UHFFFAOYSA-N
+rxn:4:221727:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cncc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)c1,YWJYDKLOVFXIOH-UHFFFAOYSA-N
+rxn:4:221730:223699,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cn2)CC1,BTLINZXSVUUGHT-UHFFFAOYSA-N
+rxn:4:221730:224252,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(C(=O)N4CCCC(C)C4)c(F)c3)cn2)CC1,QVCQTGLFTWEYMZ-UHFFFAOYSA-N
+rxn:4:221832:224394,Cc1ccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,WZJQSYYQDPOFFI-UHFFFAOYSA-N
+rxn:4:221832:224678,O=C(c1cc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1F)N1CCCCC1,KEMDRULJNDPOEF-UHFFFAOYSA-N
+rxn:4:221836:222904,CC(C)(C)OC(=O)Nc1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cn1,VGTTXBZUFCJJMX-UHFFFAOYSA-N
+rxn:4:221836:225160,O=C(c1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1Cl)N1CCCC1,JVNDFWDSSOHZQS-UHFFFAOYSA-N
+rxn:4:221836:225161,O=C(c1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1F)N1CCCC1,JLDJPXVTZXQHFK-UHFFFAOYSA-N
+rxn:4:221836:225162,O=C(c1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1Cl)N1CCCC1,WDAJKPKWDQYLJB-UHFFFAOYSA-N
+rxn:4:221876:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C4N=NN=N4)ccn3)cc2[N+](=O)[O-])CC1,XPIINABKEGXLAC-UHFFFAOYSA-N
+rxn:4:222009:225221,CC1CCCN(c2cc(-c3cnc(N4CCN(c5cc(C(F)F)nc(C6CC6)n5)CC4)nc3)c(F)cn2)C1,PNBQLKHPDYRJLO-UHFFFAOYSA-N
+rxn:4:222046:224759,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,UBMOOUNEGINJIE-UHFFFAOYSA-N
+rxn:4:222062:226294,COc1cc(OC(C)C)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,XYEJNTCDIGJZRT-UHFFFAOYSA-N
+rxn:4:222062:228380,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C#N)c(Cl)c4F)cc3)CC2)n1,NMUXXWPCKAVJKS-UHFFFAOYSA-N
+rxn:4:222108:222634,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCNC7CCCC7)c(F)c6)cc5)no4)C3C2=O)cc1F,KXDFQXYHBHSDDT-UHFFFAOYSA-N
+rxn:4:222108:222808,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC(C)C)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1F,KFRPPLSUTCLVPF-UHFFFAOYSA-N
+rxn:4:222108:222989,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)cc6C)cc5)no4)C3C2=O)cc1F,LUBNYIGKVLFUKP-UHFFFAOYSA-N
+rxn:4:222127:224253,CC1CCCCN1C(=O)c1cc(-c2ccc(-c3cc(N4CCCN(C(=O)c5nn(C)c6ccccc56)CC4)[nH]n3)cc2)ccc1F,RXBNIQXYSHCMQC-UHFFFAOYSA-N
+rxn:4:222137:222922,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1,NFIGGPHOZUOCGJ-UHFFFAOYSA-N
+rxn:4:222169:222582,Cc1nc(N2CCN(c3ncc(-c4cccc(C(=O)NCCN5CCOCC5)c4)cn3)CC2)cc(C(C)(C)C)n1,NNNGNEHCLJZFSP-UHFFFAOYSA-N
+rxn:4:222297:223894,CCn1nnc2c(N3CCN(C(=O)c4ccc(-c5cccc(OCCCN6CCN(C)CC6)c5)o4)CC3)ncnc21,HFOJYHWMSOUOTO-UHFFFAOYSA-N
+rxn:4:222323:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnc(N4CCN(c5ccc(N(C)C)nn5)CC4)nc3)c(F)ncc21,VOGJORQVCZZDSW-UHFFFAOYSA-N
+rxn:4:222333:224960,COc1ccc(-c2cnc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nc2)cc1OC1CCCC1,YLVFOVQDXZBJLB-UHFFFAOYSA-N
+rxn:4:222334:225056,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4ccc(N5CCCC(C)C5)cc4F)cn3)CC2)n1,WAOYGMNIMRDWNE-UHFFFAOYSA-N
+rxn:4:222367:224668,CCN1CCN(c2cc(F)cc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)c2)CC1,KEJYZNLLBSJRQR-UHFFFAOYSA-N
+rxn:4:222389:184513,CCCCOC(=O)c1ccnc(Cl)c1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,XENZETLCMOSVRB-UHFFFAOYSA-N
+rxn:4:222389:204720,CCN1CCN(Cc2cc3c(c(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c2)OCC3)CC1,ZUTZGXCJVWJXKY-UHFFFAOYSA-N
+rxn:4:222389:206782,CC(C)c1nc(N2CCOCC2)sc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,UAEXCGQLVWLLCZ-UHFFFAOYSA-N
+rxn:4:222522:207763,CCN1CC=C(c2c[nH]c3cc(-c4ccc(OC)c(S(=O)(=O)N5CCC(O)CC5)c4)ccc23)CC1,WGTMJZSAHGLHAF-UHFFFAOYSA-N
+rxn:4:222581:187496,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3COCCN3C(=O)OC(C)(C)C)cc2)c2ccccc12,VEAVKEOQNXNUPR-UHFFFAOYSA-N
+rxn:4:222601:187438,Cc1cc(-c2cccc3sc(NC(=O)OC(C)(C)C)nc23)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,RLSOQGUUNWFJNV-UHFFFAOYSA-N
+rxn:4:222611:194649,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)C=C(C(=O)N1CCOCC1)C=CO2,ROKLQXNEDUONGW-UHFFFAOYSA-N
+rxn:4:222622:189944,CCC(C)c1cc(-c2cccc(CS(=O)(=O)N3CCOCC3)c2)cc(C2CCCNC2)n1,GOHNGDHXHOECNK-UHFFFAOYSA-N
+rxn:4:222782:204894,Cc1cc(-c2ccc3[nH]c4c(c3c2)CN(C(=O)OC(C)(C)C)CC4)cnc1NC(=O)OC(C)(C)C,PFLFCAJAYMXLNV-UHFFFAOYSA-N
+rxn:4:222890:185375,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc(C2CCCNC2)n1,XKBGJGAOWWVVTB-UHFFFAOYSA-N
+rxn:4:222891:178598,COc1cc(-c2cccc(C3OC4CCCCC4c4cc(OC)c(OC)cc43)c2)cc(C2CCNCC2)n1,FZAMPOGOWBVWFJ-UHFFFAOYSA-N
+rxn:4:222940:185435,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(N(C(=O)c3ccc(C(C)(C)C)cc3)C3C=CS(=O)(=O)C3)cc2)c1,WDPQRWCPXFAZQW-UHFFFAOYSA-N
+rxn:4:222940:187211,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(C3(F)CN(C(=O)OC(C)(C)C)C3)cc2)c1,WRHLTAAQWLEKBN-UHFFFAOYSA-N
+rxn:4:223590:216155,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C(=O)N2CCc3ncncc3C2)o1,NWBLQDOIURXCAP-UHFFFAOYSA-N
+rxn:4:223811:178021,COc1cc(C2OCCO2)c(OC)cc1-c1ccc(CN2CCC3(CC2)OCCO3)c(Cl)c1,PLPFLJLSMXCXAZ-UHFFFAOYSA-N
+rxn:4:223830:219523,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)ccc2C)CC1,SJFWTKYYBKOTAX-UHFFFAOYSA-N
+rxn:5:177181:226035:222983,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(C(=O)OC(C)C)cc1-c1cccc(CN2CCC(O)C2)c1,SJOALGIKYSEMFW-UHFFFAOYSA-N
+rxn:5:177182:223002:223056,CCOC(=O)c1cc(C)cc(-c2ccc(N3CCC(O)CC3)nc2)c1-c1ccc(C2CCNCC2)cc1F,ZXEJWUZMNGIUCL-UHFFFAOYSA-N
+rxn:5:177185:223061:226583,CC(C)OC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1ccc(CN2CCOCC2)s1,BFAQVYNIAZXPES-UHFFFAOYSA-N
+rxn:5:177190:222987:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2ccc(C3CCNCC3)nc2C)c1,GDXJTEDAOJIZHL-UHFFFAOYSA-N
+rxn:5:177190:222990:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2ccc(N3CCC(O)CC3)cc2)c1,PTWAGJBWAHSNCT-UHFFFAOYSA-N
+rxn:5:177190:222990:225654,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC(C)C3)nc2)c(-c2ccc(N3CCC(O)CC3)cc2)c1,VNHPPZPROWKAOO-UHFFFAOYSA-N
+rxn:5:177190:222993:225638,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2cccc(N3CCCCC3O)c2)c1,VNEGOWVAJHPQKO-UHFFFAOYSA-N
+rxn:5:177190:222993:225655,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(-c2cccc(N3CCCCC3O)c2)c1,AQGSMLVTESMMDB-UHFFFAOYSA-N
+rxn:5:177190:222994:225654,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC(C)C3)nc2)c(-c2cccc(N3CCC(O)CC3)c2)c1,HJACFNPEXIHRNY-UHFFFAOYSA-N
+rxn:5:177190:223054:226649,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCOCC2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,COIKUSIPIQPWDH-UHFFFAOYSA-N
+rxn:5:177190:223132:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cccc(N3CCNCC3)c2)c1,HTDVLMDHOFZMSJ-UHFFFAOYSA-N
+rxn:5:177190:225576:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(N3CCCC3)c(C#N)c2)c1,COEVHHLEDQNMTH-UHFFFAOYSA-N
+rxn:5:177190:225634:225464,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCC(C)C3)c2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,YFLPRQRIFQPXGF-UHFFFAOYSA-N
+rxn:5:177190:225634:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,BOPQBRNIUHLKHS-UHFFFAOYSA-N
+rxn:5:177190:225638:222993,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3O)c2)c(-c2ccc(N3CCC(C)CC3)nc2)c1,YNOAGPHMZZGHSO-UHFFFAOYSA-N
+rxn:5:177190:225654:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2ccc(N3CCCC(C)C3)nc2)c1,XYAIFOMNYJLHAQ-UHFFFAOYSA-N
+rxn:5:177190:225654:225576,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC3)c(C#N)c2)c(-c2ccc(N3CCCC(C)C3)nc2)c1,IXAXXXKVXOSICZ-UHFFFAOYSA-N
+rxn:5:177190:225655:222993,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3O)c2)c(-c2cncc(N3CCC(C)CC3)c2)c1,FYHSCKPORRHCOQ-UHFFFAOYSA-N
+rxn:5:177190:225805:223144,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)C3)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,VPSGCNDVVQSPFQ-UHFFFAOYSA-N
+rxn:5:177190:225805:225661,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCOCC3)cc2C)c(-c2ccc(C(C)N3CCOCC3)s2)c1,UAORZGMYJNAZJN-UHFFFAOYSA-N
+rxn:5:177190:226187:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2cccc(C3CCOCC3)c2)c1,GHOJVSIJIXLQFT-UHFFFAOYSA-N
+rxn:5:177190:226427:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cc(N3CCC(C)CC3)cs2)c1,HDZZYYORRCHIDE-UHFFFAOYSA-N
+rxn:5:177190:227657:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(N3CCOCC3)s2)c1,OTJPMGXJCFGERR-UHFFFAOYSA-N
+rxn:5:177191:222996:225601,N#CC1(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(F)cc4C4CCCNC4)c3)c(F)c2)CCC1,LQOWYLDNGRRWFX-UHFFFAOYSA-N
+rxn:5:177191:222996:225603,N#CC1(c2cccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(F)cc4C4CCCNC4)c3)c2F)CCC1,DDOAWRXKCXTJDB-UHFFFAOYSA-N
+rxn:5:177191:225601:223008,N#CC1(c2ccc(-c3cc(-c4cc(C5CCNCC5)ccc4F)ccc3CC(=O)C3CC3)c(F)c2)CCC1,NZGUIYKMNPNBBZ-UHFFFAOYSA-N
+rxn:5:177193:225634:225802,CCOC(=O)c1cc(C)c(-c2cnc(N3CCCCC3)c(C)c2)cc1-c1ccc(OC2CCCC2)nc1F,IYEIEAUPASSXOB-UHFFFAOYSA-N
+rxn:5:177731:223054:227379,CC(c1ccc(-c2cc(-c3cccnc3N3CCCC3)ccc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,LJCDHBOFSVTJJM-UHFFFAOYSA-N
+rxn:5:177731:225438:223065,CC(c1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3F)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,PYHMAPQJVBOQKR-UHFFFAOYSA-N
+rxn:5:177731:225438:226679,CC(c1ccc(-c2cc(-c3cnc(N4CCCC4)cc3F)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,FIKMXNAUOHTUHI-UHFFFAOYSA-N
+rxn:5:177731:225607:223281,CC(c1ccc(-c2cc(-c3ccc(C4(O)COC4)nc3)ccc2C(=O)OC(C)(C)C)s1)N1CCCCC1,VMYOAMMURGVNNR-UHFFFAOYSA-N
+rxn:5:177731:225833:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1ccnc(N2CCCCC2)c1F,SBTKLHWCZQZMDU-UHFFFAOYSA-N
+rxn:5:177733:225976:226664,CC(C)(C)OC(=O)c1cc(-c2cc(N3CCCC3)ncc2F)cc(-c2ccnc(N3CCOCC3)c2F)c1,GXJKAIKZORIWRK-UHFFFAOYSA-N
+rxn:5:177734:223294:225980,Cc1cc(-c2csc(N3CCNCC3)n2)c(-c2cc(N3CCOCC3)ncc2F)cc1C(=O)OC(C)C,VZOGRZWNDJUBSU-UHFFFAOYSA-N
+rxn:5:177736:223054:227375,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccc(N3CCCC3)nc2)s1)N1CCC(O)C1,MMFKVWYWLCEGTM-UHFFFAOYSA-N
+rxn:5:177737:225439:225982,CC(c1cccc(-c2ccc(-c3cnc(N4CCOCC4)cc3F)cc2C(=O)OC(C)(C)C)c1)N1CCCC1,WRWPQKXOXFVCQM-UHFFFAOYSA-N
+rxn:5:177737:226794:225454,CN1CC=C(c2ccc(-c3ccc(-c4cnc(N5CCSCC5)nc4)c(C(=O)OC(C)(C)C)c3)cc2)CC1,SVVQBFSMMJNPSS-UHFFFAOYSA-N
+rxn:5:177738:227803:222404,COc1cc(-c2ccc(C3NC(=O)NC3=O)cc2)c(-c2ccnn2S(=O)(=O)N(C)C)cc1OC1CCC1,KKVQMHUWHQXIFH-UHFFFAOYSA-N
+rxn:5:177739:223058:225884,CC(C)(C)OC(=O)c1cccc(-c2cc(F)nc(C3CCCNC3)c2)c1-c1ccc(C2COCCO2)c(F)c1,PCMDMTGJYNKXFJ-UHFFFAOYSA-N
+rxn:5:177850:227710:225798,CCOc1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(C2OCCO2)c1-c1ccc(OC2CCOCC2)nc1,NFUXBMIVALKCPI-UHFFFAOYSA-N
+rxn:5:177851:225794:223285,CCOc1c(-c2cnc(OC3CCCCC3)nc2)cc(C2OCCO2)cc1-c1ccccc1NS(C)(=O)=O,ZHBZLBZNQNEJKE-UHFFFAOYSA-N
+rxn:5:177891:222405:227093,O=C1NC(=O)C(c2cccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3cccnc3C3CCCC3)c2)N1,GFYDTEXJFLKUQZ-UHFFFAOYSA-N
+rxn:5:177891:222419:223140,NS(=O)(=O)c1cccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCCNC3)c2)c1,DURRHSRYYKYTNX-UHFFFAOYSA-N
+rxn:5:177891:222420:223140,NS(=O)(=O)c1ccccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccnc(C2CCCNC2)c1,BGIUHVBOFZAGJF-UHFFFAOYSA-N
+rxn:5:177891:223134:222420,NS(=O)(=O)c1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cnccc1C1CCCNC1,CMACOQAYNHKOPS-UHFFFAOYSA-N
+rxn:5:177891:223135:223183,CNS(=O)(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2C2CCCNC2)c(C)c1,MCLRUPQJXQFZCH-UHFFFAOYSA-N
+rxn:5:177891:223189:225613,CS(=O)(=O)Nc1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(OC3CCCCC3)c2)c(F)c1,BOGHIBNJKTXVEQ-UHFFFAOYSA-N
+rxn:5:177891:223200:223289,CNS(=O)(=O)c1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(C2CCNC2)cc1,RUIAWRQFLYLYLZ-UHFFFAOYSA-N
+rxn:5:177891:223200:228211,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCCC2)cs1)c1ccccc1-c1ccc(C2CCNC2)cc1,DKFIVJPKQPEQSC-UHFFFAOYSA-N
+rxn:5:177891:223240:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1ccc(C2CCNC2)nc1,KZEBUTOJIDTOQE-UHFFFAOYSA-N
+rxn:5:177891:225798:226583,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)s1)c1ccccc1-c1ccc(OC2CCOCC2)nc1,RAFLTUPDXPBVTA-UHFFFAOYSA-N
+rxn:5:177891:225803:227992,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COC2)cc1)c1ccccc1-c1ccnc(OC2CCOCC2)c1,RQEOTSHLZRNWLU-UHFFFAOYSA-N
+rxn:5:177891:225982:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnc(N3CCOCC3)cc2F)s1)N1CCOCC1,YCQKVICHKPNDNR-UHFFFAOYSA-N
+rxn:5:177891:225985:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1cccc(N2CCCS2(=O)=O)c1,IIRXUIFBGRSVBC-UHFFFAOYSA-N
+rxn:5:177891:226321:222419,NS(=O)(=O)c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(SC3CCCC3)nc2)c1,YYVBQTPWQCQAPM-UHFFFAOYSA-N
+rxn:5:177891:226330:223312,CC(c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C3CNC3)cc2)s1)N1CCCC1,PETZVERPEBCSDF-UHFFFAOYSA-N
+rxn:5:177891:226447:227278,N#CC1(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C4CCOCC4)c3)cn2)CC1,PHWUWJCKCUOWJW-UHFFFAOYSA-N
+rxn:5:177891:226583:223141,O=C(SC1CS(=O)(=O)CC1c1cncc(C2CCNCC2)c1)c1ccccc1-c1ccc(CN2CCOCC2)s1,ORFROUQGVCITKT-UHFFFAOYSA-N
+rxn:5:177891:226590:227283,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3CCOC3)nc2)cc(C2CC2)n1,NQOQCYCXEBRCFF-UHFFFAOYSA-N
+rxn:5:177891:226649:223148,O=C(SC1CS(=O)(=O)CC1c1ccccc1C1CNCCO1)c1ccccc1-c1cccnc1N1CCOCC1,PHDHBHYNFIYOGB-UHFFFAOYSA-N
+rxn:5:177891:226649:225607,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2N2CCOCC2)s1)N1CCCCC1,XCMIQMZYAMPLTK-UHFFFAOYSA-N
+rxn:5:177891:226649:225803,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOCC2)c1)c1ccccc1-c1cccnc1N1CCOCC1,GUUQLXKFXLPZLC-UHFFFAOYSA-N
+rxn:5:177891:226649:227684,O=C(SC1CS(=O)(=O)CC1c1cnn(CC2OCCO2)c1)c1ccccc1-c1cccnc1N1CCOCC1,KPRVDNQCNLXXQG-UHFFFAOYSA-N
+rxn:5:177891:226729:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1cnc(OC2CCOC2)nc1,NIMWLCWIRUHXSE-UHFFFAOYSA-N
+rxn:5:177891:226767:227738,COc1ccc(C(F)(F)F)c(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cc(C(F)(F)F)ncc2C)c1,SEBRHLAZODBOAT-UHFFFAOYSA-N
+rxn:5:177891:227437:222405,O=C1NC(=O)C(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C4CCCO4)c3)c2)N1,DWZQYHODRDQJPK-UHFFFAOYSA-N
+rxn:5:177891:227437:225576,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCCO3)c2)ccc1N1CCCC1,YGVNHTSDTPOQLG-UHFFFAOYSA-N
+rxn:5:177891:227449:223384,CNC(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCOCC3)s2)cn1,IBVZKTVJMXBRGZ-UHFFFAOYSA-N
+rxn:5:177891:227458:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnc3c(c2)OCCN3C)s1)N1CCOCC1,HASCHAUSSZXICQ-UHFFFAOYSA-N
+rxn:5:177891:227517:226180,Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3COC3)nc2)cc(C2CCCC2)n1,NOZPOBYXSUGSPW-UHFFFAOYSA-N
+rxn:5:177891:227656:227657,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)s1)c1ccccc1-c1cc(N2CCOCC2)cs1,PPLNCSMCBAHATM-UHFFFAOYSA-N
+rxn:5:177891:228583:225654,CC1CCCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C(C)C)c3)cn2)C1,KOCXNDXHNGSQOF-UHFFFAOYSA-N
+rxn:5:177891:228868:223140,COC(=O)c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCCNC3)c2)s1,CZYBVYFEQKLRQG-UHFFFAOYSA-N
+rxn:5:177891:228965:225652,CC1CCCN(c2cncc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc([N+](=O)[O-])nc3)c2)C1,OBSIAHGDHRXYCL-UHFFFAOYSA-N
+rxn:5:177891:228974:226665,CS(=O)(=O)n1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cnc(C3CCCOC3)nc2)cn1,AUGTYMBREOWFMX-UHFFFAOYSA-N
+rxn:5:178118:222958:227507,Cc1ccc(-c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)cc2OCC2CCCCO2)cc1C1CCNCC1,PQIJIAIYLQOILS-UHFFFAOYSA-N
+rxn:5:178118:223294:223189,CS(=O)(=O)Nc1ccc(-c2ccc(-c3csc(N4CCNCC4)n3)c(OCC3CCCCO3)c2)c(F)c1,SVRSSFQSTHDPRR-UHFFFAOYSA-N
+rxn:5:178118:225832:228653,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn3c2CCCC3)cc1OCC1CCCCO1,FVNPUKPTYXBPQD-UHFFFAOYSA-N
+rxn:5:178118:226041:226663,O=[N+]([O-])c1cccc(C(F)(F)F)c1-c1ccc(-c2ccc(N3CCSCC3)nc2)cc1OCC1CCCCO1,OQFRKFYKIXXAQN-UHFFFAOYSA-N
+rxn:5:178120:223148:227803,CN(C)S(=O)(=O)n1nccc1-c1c(OCC2CCOCC2)cccc1-c1ccccc1C1CNCCO1,YZGRSOOUDVDHBK-UHFFFAOYSA-N
+rxn:5:178120:226144:226215,CO/N=C1\CCc2cc(-c3c(OCC4CCOCC4)cccc3-c3ccc(C#C[Si](C)(C)C)cc3)ccc21,MIFCOGNACOUAKG-WUVHBKSUSA-N
+rxn:5:178120:226583:223295,CS(=O)(=O)Nc1cncc(-c2c(OCC3CCOCC3)cccc2-c2ccc(CN3CCOCC3)s2)c1,KMPPBMVVVAWJHR-UHFFFAOYSA-N
+rxn:5:178120:227684:227803,CN(C)S(=O)(=O)n1nccc1-c1c(OCC2CCOCC2)cccc1-c1cnn(CC2OCCO2)c1,BEKVCHYFUDBKIY-UHFFFAOYSA-N
+rxn:5:178122:227689:225929,Cc1cc(-c2cc(-c3ccc(CC(F)(F)F)nc3)ccc2COC2CCCCO2)ccc1S(=O)(=O)N(C)C,MBXKHUCUFLJUMK-UHFFFAOYSA-N
+rxn:5:178226:226898:227432,Cc1nc(C2COC2)ccc1-c1cccc(OCC2CCCCC2)c1-c1cn(S(=O)(=O)N(C)C)nc1C,XZXVWFOZDXPQRB-UHFFFAOYSA-N
+rxn:5:178278:225638:225833,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccnc(N4CCCCC4)c3F)cc2)c(C)cc1-c1ccc(N2CCC(C)CC2)nc1,HVVYMHKZQSKUQU-UHFFFAOYSA-N
+rxn:5:178278:225641:223062,Cc1cc(S(=O)(=O)Oc2ccc(-c3cnc(C4CCNCC4)cc3F)cc2)c(C)cc1-c1ccnc(N2CCCC(C)C2)c1,UWEBINHBCSOBPS-UHFFFAOYSA-N
+rxn:5:178295:222404:227319,COC(=O)C1(c2cc(-c3cc(CC(C)C)ncc3F)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CCC(=O)CC1,AOIBYMGEQSWHOH-UHFFFAOYSA-N
+rxn:5:178295:223018:226079,COC(=O)C1(c2cc(-c3cc4cc(C(C)C)ccc4s3)ccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)CCC(=O)CC1,YXSCMPPFUBMBHC-UHFFFAOYSA-N
+rxn:5:178295:223189:228802,COC(=O)C1(c2cc(-c3ccccc3C(F)F)ccc2-c2ccc(NS(C)(=O)=O)cc2F)CCC(=O)CC1,ZAWWVLDMHOKXFR-UHFFFAOYSA-N
+rxn:5:178295:223242:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2ccnc(C3CCNC3)c2)CCC(=O)CC1,IMOWYCTWNUZCOD-UHFFFAOYSA-N
+rxn:5:178295:223270:228268,COC(=O)C1(c2cc(-c3ccc(C)c(F)c3SC)ccc2-c2ccc(F)cc2NC(C)=O)CCC(=O)CC1,UNXCDMICEDEHDL-UHFFFAOYSA-N
+rxn:5:178295:223287:228445,CNS(=O)(=O)c1ccc(-c2ccc(-c3c(F)cccc3C(F)F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,FZEAYMQDAUQHHR-UHFFFAOYSA-N
+rxn:5:178295:225506:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2ccc3c(cnn3CC(C)C)c2)CCC(=O)CC1,CIKFHZDDGAIRCH-UHFFFAOYSA-N
+rxn:5:178295:225871:223112,COC(=O)C1(c2cc(-c3c(C(C)C)ccc4[nH]ncc34)ccc2-c2cccc(N3C(=O)C=CC3=O)c2)CCC(=O)CC1,KOWXROHBWSTTFG-UHFFFAOYSA-N
+rxn:5:178295:226058:228770,COC(=O)C1(c2cc(-c3cncc(C)c3OC)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,BJUHKLJJFULXNK-UHFFFAOYSA-N
+rxn:5:178295:226058:228779,COC(=O)C1(c2cc(-c3cc(F)ccc3OC)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,DVNQABUKKGOCRQ-UHFFFAOYSA-N
+rxn:5:178295:226062:228505,CCCc1ccc(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,GROCERQYFCINDK-UHFFFAOYSA-N
+rxn:5:178295:226070:226084,COC(=O)C1(c2cc(-c3ccc4c(c3)C(=O)CCCC4)ccc2-c2ccc3c(ccn3C(C)C)c2)CCC(=O)CC1,UIZKGWGVLHFGOQ-UHFFFAOYSA-N
+rxn:5:178295:226154:228636,COC(=O)C1(c2cc(-c3c(C)cc(F)cc3C)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,JNACVVLZNUZBAB-UHFFFAOYSA-N
+rxn:5:178295:226579:228763,CCc1c(F)cncc1-c1ccc(-c2cc(F)cc(C(=O)N(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,PRKBWCIJTOWKGJ-UHFFFAOYSA-N
+rxn:5:178295:226580:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C(=O)N(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,FWEKLHLWTPYSIT-UHFFFAOYSA-N
+rxn:5:178295:226580:227810,CCC(C)c1ccc(-c2ccc(-c3cc(C(=O)N(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,NCNVEFINGSQBPU-UHFFFAOYSA-N
+rxn:5:178295:226580:228780,COC(=O)C1(c2cc(-c3cccc(F)c3OC)ccc2-c2cc(C(=O)N(C)C)ccc2F)CCC(=O)CC1,GJDHJHUJMGNJOH-UHFFFAOYSA-N
+rxn:5:178295:226581:228765,CCc1cc(F)c(-c2ccc(-c3cccc(C(=O)N(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,MFASTPZQZYBRQJ-UHFFFAOYSA-N
+rxn:5:178295:226603:228181,COCc1cc(F)ccc1-c1ccc(-c2cc(C(=O)OC)cc(F)c2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,FNMRCDIWWDXYPK-UHFFFAOYSA-N
+rxn:5:178295:226769:227813,CCc1cccc(CC)c1-c1ccc(-c2cc(C(=O)OC)cc(F)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,NJYZSUVAQHTUPG-UHFFFAOYSA-N
+rxn:5:178295:226769:227831,CCc1c(C)cc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,DKCLNPWJJZXFIB-UHFFFAOYSA-N
+rxn:5:178295:226907:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2cccc3c2CCC32CC2)CCC(=O)CC1,GQKBEBNGXXXFNG-UHFFFAOYSA-N
+rxn:5:178295:226912:227818,CCC(C)c1cccc(-c2ccc(-c3cc(C)cc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NIDMWKWJYFGDFZ-UHFFFAOYSA-N
+rxn:5:178295:226913:227989,CC#Cc1ccc(F)c(-c2ccc(-c3cc(CC)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,XPYXRIMXPQCHGK-UHFFFAOYSA-N
+rxn:5:178295:226914:223018,COC(=O)C1(c2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,UFKBOPQSZSCRIQ-UHFFFAOYSA-N
+rxn:5:178295:226923:228396,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3F)ccc2-c2cc(C)c(C3CC3)cc2C)CCC(=O)CC1,ANOVIBRFUHNLPG-UHFFFAOYSA-N
+rxn:5:178295:226926:228181,COCc1cc(F)ccc1-c1ccc(-c2ccc(C(C)(C)C)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,RJSRBOUKGUDKSU-UHFFFAOYSA-N
+rxn:5:178295:226959:227933,CCc1ccc(OC)cc1-c1ccc(-c2ccc3c(c2)CC(C)(C)O3)c(C2(C(=O)OC)CCC(=O)CC2)c1,NSWMNTXSFSPWKJ-UHFFFAOYSA-N
+rxn:5:178295:226966:228275,COC(=O)C1(c2cc(-c3cc(C)cc(F)c3OC)ccc2-c2ccc3c(c2)C(=O)CCC3)CCC(=O)CC1,YUUUJESHTJSNJT-UHFFFAOYSA-N
+rxn:5:178295:227038:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,YHZSCKMENWMYCM-UHFFFAOYSA-N
+rxn:5:178295:227038:227820,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,MCMQZPIMZHLKPN-UHFFFAOYSA-N
+rxn:5:178295:227038:228219,COC(=O)C1(c2cc(-c3cnc(C(C)C)cc3F)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,BDBXXQZZTILVCS-UHFFFAOYSA-N
+rxn:5:178295:227065:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,BIJREHMDRLEDRB-UHFFFAOYSA-N
+rxn:5:178295:227071:227929,CCOc1cc(C)ccc1-c1ccc(-c2c(C)cc(COC)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,DDNPTMNXHFTJIV-UHFFFAOYSA-N
+rxn:5:178295:227075:226971,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCOC4)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,BHIIEDUHSWXNFR-UHFFFAOYSA-N
+rxn:5:178295:227076:223357,CCC(C)c1ccc(F)c(-c2ccc(-c3ccccc3NC(C)=O)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DKWAECWSHIBVCT-UHFFFAOYSA-N
+rxn:5:178295:227076:227073,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(OC)cc(C4CC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KUZRFRSTYFNJKI-UHFFFAOYSA-N
+rxn:5:178295:227076:227314,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(CC(C)C)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HRIUNKFUMQTGEU-UHFFFAOYSA-N
+rxn:5:178295:227077:223015,CCC(C)c1ccc(-c2ccc(-c3cc4cc(C(=O)OC)ccc4[nH]3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,NBHAQLVOURKTDD-UHFFFAOYSA-N
+rxn:5:178295:227311:227286,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,RKWGFMJVWXPLAA-UHFFFAOYSA-N
+rxn:5:178295:227311:227830,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(C4(C)CC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,JGKBZUSISPKSRI-UHFFFAOYSA-N
+rxn:5:178295:227311:228395,CCC(C)c1cc(F)c(-c2ccc(-c3cc(F)c(F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,MOSPZEDKFZCWTI-UHFFFAOYSA-N
+rxn:5:178295:227313:228227,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)C)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,VNNSIDQGXIRHIL-UHFFFAOYSA-N
+rxn:5:178295:227328:227819,CCc1cc(CC)cc(-c2ccc(-c3cc(F)cc(OC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,CLXRIXRHPJVUCP-UHFFFAOYSA-N
+rxn:5:178295:227340:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C)c(C(=O)OC)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,KLFHVXYSTGMPID-UHFFFAOYSA-N
+rxn:5:178295:227520:228567,CCC(C)c1sccc1-c1ccc(-c2cnc(OC(C)C)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,KYECYCYNCORRNL-UHFFFAOYSA-N
+rxn:5:178295:227541:228258,CCOc1cc(F)c(-c2ccc(-c3c(C)ccc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1F,YGLSXYCNBKPAHY-UHFFFAOYSA-N
+rxn:5:178295:227560:227910,CCC(C)c1ccc(-c2ccc(-c3ccc(OC)c(C(F)F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,UQYKITXGHYZASH-UHFFFAOYSA-N
+rxn:5:178295:227561:228179,COCc1cc(F)cc(-c2ccc(-c3cc(OC)c(OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,QLFCBIHIVWRBIN-UHFFFAOYSA-N
+rxn:5:178295:227568:227996,COC(=O)C1(c2cc(-c3ccc(C(C)=O)cc3C)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,YGIKVVDBVPYQPE-UHFFFAOYSA-N
+rxn:5:178295:227810:226579,CCC(C)c1ccc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,DAOZUJRDADYVEC-UHFFFAOYSA-N
+rxn:5:178295:227810:227325,CCC(C)c1ccc(-c2ccc(-c3ccc(OC(C)(C)C)nc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,JSDCMEVKTLMUTD-UHFFFAOYSA-N
+rxn:5:178295:227821:227040,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C)ccc2OC(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,AOLIPYMOOMOKDI-UHFFFAOYSA-N
+rxn:5:178295:227826:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2cccc(C(C)(C)C)c2)CCC(=O)CC1,XGIMIRSDUVZBSU-UHFFFAOYSA-N
+rxn:5:178295:227831:226579,CCc1c(C)cc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,YNRUQSUOPUROCT-UHFFFAOYSA-N
+rxn:5:178295:228102:227077,CCC(C)c1ccc(-c2ccc(-c3cncnc3CC(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,GZTYOQWZYUPPEB-UHFFFAOYSA-N
+rxn:5:178295:228141:227540,CCCc1cc(F)c(-c2ccc(-c3cc(SC)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,GWFUKEFVWMYWCX-UHFFFAOYSA-N
+rxn:5:178295:228178:227544,COCc1ccc(F)c(-c2ccc(-c3cc(F)ccc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,FMCYVSSXUXIFFZ-UHFFFAOYSA-N
+rxn:5:178295:228181:227521,COCc1cc(F)ccc1-c1ccc(-c2cc(C(=O)OC)cnc2C)cc1C1(C(=O)OC)CCC(=O)CC1,SSXRRNYNFBJERH-UHFFFAOYSA-N
+rxn:5:178295:228220:227077,CCC(C)c1ccc(-c2ccc(-c3cc(C(C)C)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,PVWHZQNYEMRWBI-UHFFFAOYSA-N
+rxn:5:178295:228258:226946,COC(=O)C1(c2cc(-c3ccc4c(c3)CCN(C)C4)ccc2-c2c(C)ccc(F)c2OC)CCC(=O)CC1,LDHNZNNHKJRIJF-UHFFFAOYSA-N
+rxn:5:178295:228268:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2ccc(C)c(F)c2SC)CCC(=O)CC1,PECGJLPFEQACEG-UHFFFAOYSA-N
+rxn:5:178295:228272:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C)c(OC)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,JAMRVMZOKNYXPD-UHFFFAOYSA-N
+rxn:5:178295:228332:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cnc(OC)cc3SC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,TVWPYERRBTWFMJ-UHFFFAOYSA-N
+rxn:5:178295:228556:226058,COCc1ccc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,ORGMYFDNPQKODG-UHFFFAOYSA-N
+rxn:5:178295:228560:226062,CCSc1ccccc1-c1ccc(-c2cc(C(C)C)cc(C(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,AMXYRMOCLDKRIO-UHFFFAOYSA-N
+rxn:5:178295:228562:226190,CCC(C)c1csc(-c2ccc(-c3ccc(C4CCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RFVXIPZNVANWNP-UHFFFAOYSA-N
+rxn:5:178295:228562:226923,CCC(C)c1csc(-c2ccc(-c3cc(C)c(C4CC4)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NTWFKAOWVBVLHB-UHFFFAOYSA-N
+rxn:5:178295:228563:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(CC(C)C)cs3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WNEFQIRIPZLFHV-UHFFFAOYSA-N
+rxn:5:178295:228566:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccsc2CC(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,VCUSBYYPVJBERG-UHFFFAOYSA-N
+rxn:5:178295:228567:226582,CCC(C)c1sccc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,ITWFADLUQNIIIQ-UHFFFAOYSA-N
+rxn:5:178295:228582:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2cnccc2C(C)C)CCC(=O)CC1,USTDHXBMHUIFGR-UHFFFAOYSA-N
+rxn:5:178295:228608:226783,COC(=O)C1(c2cc(-c3c(OC)cc(F)c(F)c3OC)ccc2-c2ccc(C)cc2OC)CCC(=O)CC1,PLXDSBUJRYRABF-UHFFFAOYSA-N
+rxn:5:178295:228870:226910,CCC(C)(C)c1ccc(-c2ccc(-c3cc(C(=O)OC)cs3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,JHELOQUZDSCJQK-UHFFFAOYSA-N
+rxn:5:178295:228870:227071,COCc1cc(C)c(-c2ccc(-c3cc(C(=O)OC)cs3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,XQBVKXMXPDNTEF-UHFFFAOYSA-N
+rxn:5:178313:226322:226334,Cc1cc(C(=O)N(C)C)cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C(=O)N(C)C)cc2C)c1,URYPDQZMEICKIY-UHFFFAOYSA-N
+rxn:5:178313:226427:226431,CC1CCN(c2csc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3-c3ccc(N4CCCC4)c(F)c3)c2)CC1,DXTUKJYREQXESA-UHFFFAOYSA-N
+rxn:5:178315:223202:225652,CC1CCCN(c2cncc(-c3cc(O[Si](C)(C)C(C)(C)C)cc(-c4ccc(C5(O)CCC5)cc4)c3)c2)C1,OJFTVUYTSUKNJL-UHFFFAOYSA-N
+rxn:5:178368:225633:227375,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCC4)nc3)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,NSVRTVHXHLBXIX-UHFFFAOYSA-N
+rxn:5:178368:225633:227387,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(N4CCCC4)c3)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,JIEIKPHQPFSFQX-UHFFFAOYSA-N
+rxn:5:178368:227375:225633,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCCC4)nc3)c(C)c2)c(C)cc1-c1ccc(N2CCCC2)nc1,BAHOJSJQIJIVSP-UHFFFAOYSA-N
+rxn:5:178466:226036:226426,COc1c(F)cc(C(F)(F)F)cc1-c1ccc2c(-c3ccc(N4CCC(C)CC4)s3)c(C(=O)OC(C)C)sc2c1,ATDLGSHVCFQFOV-UHFFFAOYSA-N
+rxn:5:178467:222981:228692,CCOC(=O)C1=Cc2cc(-c3ccc(CN(C)C)s3)cc(-c3ccnc(NC4CCCCC4)c3)c2OC1,WRODZRDURZPGQP-UHFFFAOYSA-N
+rxn:5:178467:223008:228320,CCOC(=O)C1=Cc2cc(-c3ccnc(C(=O)OC)c3)cc(-c3cc(C4CCNCC4)ccc3F)c2OC1,CJOVTBZHRWXZDV-UHFFFAOYSA-N
+rxn:5:178467:223011:223001,CCOC(=O)C1=Cc2cc(-c3cc(C4CCCNC4)ccc3F)cc(-c3cc4[nH]ncc4cc3OC(C)C)c2OC1,NMMAACQEWBWSLX-UHFFFAOYSA-N
+rxn:5:178467:223011:225880,CCOC(=O)C1=Cc2cc(-c3cc(C4CCOCC4)ncc3F)cc(-c3cc4[nH]ncc4cc3OC(C)C)c2OC1,VYNWBBUBVFAVTK-UHFFFAOYSA-N
+rxn:5:178467:223058:223017,CCOC(=O)C1=Cc2cc(-c3cc4cccc(C(=O)OC)c4[nH]3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2OC1,UBBWNQNGOSZLQK-UHFFFAOYSA-N
+rxn:5:178467:223062:228321,CCOC(=O)C1=Cc2cc(-c3cncc(C(=O)OC)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,OBIFQJGFBIHZDV-UHFFFAOYSA-N
+rxn:5:178467:223062:228457,CCOC(=O)C1=Cc2cc(-c3cnc(C(=O)OC)nc3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,NXXXGPVVBMGZBM-UHFFFAOYSA-N
+rxn:5:178467:223064:228097,CCOC(=O)C1=Cc2cc(-c3cncc(CN(C)C)c3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,JTUOXKXQLNPLRW-UHFFFAOYSA-N
+rxn:5:178467:223131:223203,CCOC(=O)C1=Cc2cc(-c3cccc(C4(O)CCC4)c3)cc(-c3ccc(N4CCNCC4)cc3)c2OC1,KZTNXAZQZBZICG-UHFFFAOYSA-N
+rxn:5:178467:223138:223010,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,WUFVYNRZNBGIIP-UHFFFAOYSA-N
+rxn:5:178467:223142:226320,CCOC(=O)C1=Cc2cc(-c3cc(C4(C#N)CC4)ccc3F)cc(-c3ccc(C4CCCNC4)nc3)c2OC1,BBPNAVFDWFQYRK-UHFFFAOYSA-N
+rxn:5:178467:223281:223063,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,ZDACJWOLKDUADZ-UHFFFAOYSA-N
+rxn:5:178467:223313:222988,CCOC(=O)C1=Cc2cc(-c3cc(C)nc(C4CCNCC4)c3)cc(-c3ccc(C4(O)CC4)cc3)c2OC1,VKPNYKYRJUYBLE-UHFFFAOYSA-N
+rxn:5:178467:223352:223056,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCC(O)CC4)nc3)cc(-c3ccc(NC(C)C)nc3)c2OC1,RPFGYTZRQBFYDB-UHFFFAOYSA-N
+rxn:5:178467:223378:225632,CCOC(=O)C1=Cc2cc(-c3cccc(N4CCN(C)CC4)c3)cc(-c3cnc4c(c3)NCCO4)c2OC1,ZTNSGXXEEVEZLI-UHFFFAOYSA-N
+rxn:5:178467:225601:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3ccc(C4(C#N)CCC4)cc3F)c2OC1,JDRFIRHBGUCJLC-UHFFFAOYSA-N
+rxn:5:178467:225652:228692,CCOC(=O)C1=Cc2cc(-c3ccc(CN(C)C)s3)cc(-c3cncc(N4CCCC(C)C4)c3)c2OC1,MJIXQROJCPPSQX-UHFFFAOYSA-N
+rxn:5:178467:225799:228974,CCOC(=O)C1=Cc2cc(-c3cnn(S(C)(=O)=O)c3)cc(-c3cncc(OC4CCOCC4)c3)c2OC1,ZPJUMRGQQVZDEO-UHFFFAOYSA-N
+rxn:5:178467:225810:228396,CCOC(=O)C1=Cc2cc(-c3c(F)cc(OC)cc3F)cc(-c3ccc(OC)cc3C3OCCO3)c2OC1,LKAPAZJAKQIXAK-UHFFFAOYSA-N
+rxn:5:178467:225880:227278,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)nc3)cc(-c3cc(C4CCOCC4)ncc3F)c2OC1,KSXWQLBGPSMGPV-UHFFFAOYSA-N
+rxn:5:178467:225980:227944,CCOC(=O)C1=Cc2cc(-c3cncc(C(C)(C)C)c3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,TZSVIEKJLXQMCG-UHFFFAOYSA-N
+rxn:5:178467:225982:228692,CCOC(=O)C1=Cc2cc(-c3ccc(CN(C)C)s3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,QCFCQLLNSMEUSN-UHFFFAOYSA-N
+rxn:5:178467:226331:226665,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCOC4)nc3)cc(-c3ccc(C4(C#N)CC4)cc3F)c2OC1,VLMUSKWELUCBHT-UHFFFAOYSA-N
+rxn:5:178467:226395:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cncc(N4CCCCC4)c3)c2OC1,QGIDEILATIYWOA-UHFFFAOYSA-N
+rxn:5:178467:226645:226661,CCOC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3ccnc(N4CCOCC4)c3)c2OC1,KMJIHEULVANNMO-UHFFFAOYSA-N
+rxn:5:178467:226649:226649,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCOCC3)cc(-c3cccnc3N3CCOCC3)c2OC1,OQKQDJVVNMOPNI-UHFFFAOYSA-N
+rxn:5:178467:227075:226783,CCOC(=O)C1=Cc2cc(-c3c(OC)cc(F)c(F)c3OC)cc(-c3cc(OC)cc(C(C)C)c3)c2OC1,WEGSINYKPUSRKY-UHFFFAOYSA-N
+rxn:5:178467:227093:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cccnc3C3CCCC3)c2OC1,PPWHCLYEACMMKR-UHFFFAOYSA-N
+rxn:5:178467:227298:226665,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCOC4)nc3)cc(-c3cc(F)ccc3CN(C)C)c2OC1,NLLFOWIXYJFJGR-UHFFFAOYSA-N
+rxn:5:178467:227299:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cc(F)cc(CN(C)C)c3)c2OC1,RHWMETLRRFDHQF-UHFFFAOYSA-N
+rxn:5:178467:227303:226663,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3cccc(CN(C)C)c3F)c2OC1,ZNTYUKVEGSGMAT-UHFFFAOYSA-N
+rxn:5:178467:227501:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3ccc(C=C[N+](=O)[O-])cc3)c2OC1,KLLGURHBWWVDJB-UHFFFAOYSA-N
+rxn:5:178467:227505:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2OC1,FVLREXFHIASOLC-FMIVXFBMSA-N
+rxn:5:178467:227702:226645,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3)cc(-c3cc(C(=O)OC)cnc3F)c2OC1,FRZFRLNTCWCYNV-UHFFFAOYSA-N
+rxn:5:178467:228292:225632,CCOC(=O)C1=Cc2cc(-c3cccc(N4CCN(C)CC4)c3)cc(-c3ccnc4c3OCCO4)c2OC1,SWLDUVILSGFVQH-UHFFFAOYSA-N
+rxn:5:178467:228457:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cnc(C(=O)OC)nc3)c2OC1,WKHCLCYUYWZNBY-UHFFFAOYSA-N
+rxn:5:179417:225803:223054,CCS(=O)(=O)c1ccc(-c2ccnc(OC3CCOCC3)c2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,YZRMVEMDTJZLSD-UHFFFAOYSA-N
+rxn:5:179417:225805:225798,CCS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(OC3CCOCC3)nc2)c1,FOPTVOGJPSOWNC-UHFFFAOYSA-N
+rxn:5:180022:223004:226685,COc1c(-c2cnc(C3CCOCC3)nc2)ccc(-c2ccc(C3CCNCC3)c(F)c2)c1C1OCCO1,LMEZSXBDGDXZBQ-UHFFFAOYSA-N
+rxn:5:180022:225809:223186,COc1c(-c2cnn(C3CCCCO3)c2)ccc(-c2cc(F)ccc2OC2CCOC2)c1C1OCCO1,IZYGWXBLYIMZAF-UHFFFAOYSA-N
+rxn:5:180022:225985:226414,COc1c(-c2ccc(C3=NCCCO3)cc2)ccc(-c2cccc(N3CCCS3(=O)=O)c2)c1C1OCCO1,YOXWYJMZIBAZHB-UHFFFAOYSA-N
+rxn:5:180022:226176:223061,COc1c(-c2cc(C3CCNCC3)ncc2F)ccc(-c2ccncc2C2CCCCC2)c1C1OCCO1,KWGGABXQUWJWKA-UHFFFAOYSA-N
+rxn:5:180022:227449:225986,COc1c(-c2ccccc2N2CCCS2(=O)=O)ccc(-c2ccc(C3CCOCC3)s2)c1C1OCCO1,UZLHLAFGYXQYKY-UHFFFAOYSA-N
+rxn:5:180202:222409:223056,COc1ccc(-c2ccc(OC3CCOCC3)c(-c3ccc(N4CCC(O)CC4)nc3)c2)cc1S(N)(=O)=O,TUWNCANHUNSJQM-UHFFFAOYSA-N
+rxn:5:180422:225832:228200,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1ccnn1C1CCCC1,AADQVKQHJGURKI-UHFFFAOYSA-N
+rxn:5:180602:222988:225926,COC(=O)C1Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3cc(C)nc(C4CCNCC4)c3)c2O1,BTUPRAXWZWNDLO-UHFFFAOYSA-N
+rxn:5:180662:223063:227501,COC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3cc(F)nc(C4CCNCC4)c3)c2OC1,JWCIOIVSWGCTQF-UHFFFAOYSA-N
+rxn:5:180662:223147:223010,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3ccc(C4CNCCO4)cc3)c2OC1,MXKBJKPRNILLII-UHFFFAOYSA-N
+rxn:5:180662:225672:227568,COC(=O)C1=Cc2cc(-c3c(F)cc(OC)cc3OC)cc(-c3cc(F)nc(C4CCCCC4)c3)c2OC1,BBBYDJYOYZRZRD-UHFFFAOYSA-N
+rxn:5:180662:225982:227506,COC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,YJCPMIZUTLUYEJ-AATRIKPKSA-N
+rxn:5:180662:227588:225498,COC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)ccc3F)cc(-c3c(OC)cc(F)cc3OC)c2OC1,BUMHFIOTFIGZQA-UHFFFAOYSA-N
+rxn:5:181624:225832:225683,Cc1nc(C2CCCOC2)ccc1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)ccc1C1OCCO1,HFUDJPFUKYCUCL-UHFFFAOYSA-N
+rxn:5:181904:225684:222988,Cc1cc(-c2c(-c3ccc(C4CCOCC4)nc3C)ccc(C3OCCO3)c2C)cc(C2CCNCC2)n1,UUTPSZINVBKEPD-UHFFFAOYSA-N
+rxn:5:181907:223140:225832,Cc1cc(-c2ccnc(C3CCCNC3)c2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,FXJZBTYKJXPHKG-UHFFFAOYSA-N
+rxn:5:181907:225636:222985,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,WXGGPQDETVYVGT-UHFFFAOYSA-N
+rxn:5:181907:226183:225607,Cc1cc(-c2cnccc2C2CCCCC2)c(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1,QCZZUCYNNBLDJP-UHFFFAOYSA-N
+rxn:5:181908:222957:222985,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2ccc(C3CCCNC3)nc2C)cc(C2CCCNC2)c1,VGZTXVIVBZWNEO-UHFFFAOYSA-N
+rxn:5:181908:225636:225683,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(C3CCCOC3)nc2C)cc1C1OCCO1,PRCUQCODRDPCKP-UHFFFAOYSA-N
+rxn:5:181908:226174:225832,Cc1cc(-c2ccc(C3CCCCC3)nc2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,ZGZAONDMXNHXSC-UHFFFAOYSA-N
+rxn:5:182009:222996:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(F)cc2C2CCCNC2)c(C2CCOCC2)c1,ZJALPMUSYWDILO-UHFFFAOYSA-N
+rxn:5:182010:225832:223058,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(F)nc(C3CCCNC3)c2)ccc1C1CCOCC1,NNYCIFWDLCAEFD-UHFFFAOYSA-N
+rxn:5:182012:223058:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1C1CCCOC1,QQSJHPQXRAYVKT-UHFFFAOYSA-N
+rxn:5:182012:225639:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccnc2N2CCC(C)CC2)cc1C1CCCOC1,CTHRVVVPRXCUKM-UHFFFAOYSA-N
+rxn:5:182012:225832:223135,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccnc2C2CCCNC2)c(C2CCCOC2)c1,WYWZELMCSZVUQR-UHFFFAOYSA-N
+rxn:5:183189:222957:223002,Cc1cc(-c2cc(-c3ccc(C4CCNCC4)cc3F)cc3c2OC(C)(C)OC3)cc(C2CCCNC2)c1,ZDXKYGCGFJRLPC-UHFFFAOYSA-N
+rxn:5:183189:222957:226686,Cc1cc(-c2cc(-c3c(C)cnn3C3CCCCO3)cc3c2OC(C)(C)OC3)cc(C2CCCNC2)c1,WGJCESYTEGHXGG-UHFFFAOYSA-N
+rxn:5:183189:222958:225674,Cc1ccc(-c2cc(-c3cnc(C4CCCCC4)cc3F)cc3c2OC(C)(C)OC3)cc1C1CCNCC1,VNRMTBCXCTZKMG-UHFFFAOYSA-N
+rxn:5:183189:226686:223002,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCNCC3)cc2F)cc2c1OC(C)(C)OC2,YVSONIJXIGLIDT-UHFFFAOYSA-N
+rxn:5:188459:225616:226058,COC(=O)c1cc([N+](=O)[O-])c(-c2ccccc2C(=O)N2CCCC2)cc1-c1c(C(C)C)cccc1C(C)C,UIDSIAFCQJYSRB-UHFFFAOYSA-N
+rxn:5:188459:225833:226067,COC(=O)c1cc([N+](=O)[O-])c(-c2ccnc(N3CCCCC3)c2F)cc1-c1ccc(C2=CCCCC2)cc1,JMGOJRZZEVQCLS-UHFFFAOYSA-N
+rxn:5:188462:223000:227404,COC(=O)c1cc(-c2ccc(C3CCCNC3)c(F)c2)c(-c2cc(N3CCCCC3)cs2)cc1[N+](=O)[O-],MRZCPUWNHMPFRE-UHFFFAOYSA-N
+rxn:5:189207:222987:228078,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2ccc3c(c2)COC3=O)c(C(=O)ON2C(=O)CCC2=O)c1,YDSCCHSTAQSGHP-UHFFFAOYSA-N
+rxn:5:189207:225931:227907,CCC(C)c1cncc(-c2ccc(-c3cc(C)cc(S(=O)(=O)N(C)C)c3)cc2C(=O)ON2C(=O)CCC2=O)c1,GPKUIPLFUVXIPD-UHFFFAOYSA-N
+rxn:5:189207:226322:226749,COc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc(C(=O)N(C)C)cc2C)cc1C(=O)ON1C(=O)CCC1=O,UZARDBLIQYFASN-UHFFFAOYSA-N
+rxn:5:189207:227029:225439,CC(c1cccc(-c2ccc(-c3ccccc3C(C)(C)C#N)cc2C(=O)ON2C(=O)CCC2=O)c1)N1CCCC1,OHWZXDIMQBGWOA-UHFFFAOYSA-N
+rxn:5:189209:228312:226440,COc1cnc(C#N)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(F)nc(C3CCCC3)c2)c1,BWMGNETVERZRJF-UHFFFAOYSA-N
+rxn:5:189209:229082:225634,Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(N(C)C)cs3)c2)cnc1N1CCCCC1,YHCGBWPYWPHCSM-UHFFFAOYSA-N
+rxn:5:189210:223378:226679,O=C(ON1C(=O)CCC1=O)c1c(-c2cnc3c(c2)NCCO3)cccc1-c1cnc(N2CCCC2)cc1F,CONQAFDMIVFMAQ-UHFFFAOYSA-N
+rxn:5:189210:226191:228490,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(S(=O)(=O)F)c2)cccc1-c1cc(C2CCCC2)ccc1F,GDVQEVFDOOAIPN-UHFFFAOYSA-N
+rxn:5:189210:227326:226679,COC(=O)c1ccc(C)c(-c2cccc(-c3cnc(N4CCCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)c1,SZPOBCDCTCYLBR-UHFFFAOYSA-N
+rxn:5:189210:228305:225674,CC(C)Oc1cnc(-c2cccc(-c3cnc(C4CCCCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)cn1,IAIMAPSZWGGSLH-UHFFFAOYSA-N
+rxn:5:189212:225394:223173,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c(-c2cc(C3CCC3)cc(C3CC3)c2)c1,BABVJABDNCDPOZ-UHFFFAOYSA-N
+rxn:5:189336:225871:223132,CN(C(=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2cccc(N3CCNCC3)c2)c1)C1CC1,MQOPSBYULZKIJE-UHFFFAOYSA-N
+rxn:5:189449:226772:226760,COC(=O)c1cc(F)c(-c2ccc(-c3cc(F)c(F)c(C(=O)OC)c3)cc2C(=O)N2CC(OC)C2)c(F)c1,JAAQPYZOWSSMBS-UHFFFAOYSA-N
+rxn:5:189449:226782:226782,COC(=O)c1cc(F)c(-c2ccc(-c3cc(F)c(C(=O)OC)cc3F)c(C(=O)N3CC(OC)C3)c2)cc1F,UITVTXNUDOTONQ-UHFFFAOYSA-N
+rxn:5:189665:225499:226464,COc1ccc2c(c1-c1cc(-c3ccc(C4CCCCC4)cc3F)cnc1OCC1CCOCC1)OCCO2,GXYNYDSQIPKULT-UHFFFAOYSA-N
+rxn:5:189666:226044:227102,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1cc(/C=N/[S@](=O)C(C)(C)C)ccc1-c1cc(C(C)(C)C)ccc1F,YZJMSQZVVMVMCO-MXIXCQMZSA-N
+rxn:5:189669:227563:226053,CC(C)(C)S(=O)/N=C/c1ccc(-c2cccc(CC(F)(F)F)c2)c(-c2ccc(F)c(OC(F)(F)F)c2F)c1,SSVAHLIWKFJSLP-YRJKAGBCSA-N
+rxn:5:189673:225679:226771,COC(=O)c1cc(F)c(F)cc1-c1cc(-c2ccc(N3CCCCC3)cc2F)ccc1/C=N/S(=O)C(C)(C)C,DVOPZZIFKCELSP-FABQOPTDSA-N
+rxn:5:189718:225937:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc([N+](=O)[O-])c(OC2CCOCC2)cc1-c1cc(C(F)(F)F)ncc1C(C)C,LCZQIJXMTALJRH-UHFFFAOYSA-N
+rxn:5:189909:226395:225834,Fc1cnc(N2CCCCC2)cc1-c1ccc(-c2cncc(N3CCCCC3)c2)c(CCN2CCOCC2)c1,YLFXXDICGCDGAG-UHFFFAOYSA-N
+rxn:5:190001:223139:225589,O=C(Cc1ccc(-c2ccc(CN3CCSCC3)cc2)c(-c2ccc(C3CCNCC3)nc2)c1)N1CCCCC1,HEIMNOYNBDPMLT-UHFFFAOYSA-N
+rxn:5:190128:223388:225656,COC1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)O)cc3)c(-c3cncc(N4CCCCC4C)c3)c2)CC1,DEFDDCKIYMQUFD-UHFFFAOYSA-N
+rxn:5:190128:228335:226145,COc1ccnc(OC)c1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1ccc(OC2CCCC2)cc1,VKNWDWUVILBQEA-UHFFFAOYSA-N
+rxn:5:190131:223007:228220,COc1c(-c2cc(F)cc(C3CCNCC3)c2)cc(C(=O)N2CCCCC2)cc1-c1cc(C(C)C)ncc1F,LXDRHUPJXMWRFS-UHFFFAOYSA-N
+rxn:5:190131:228327:227404,COc1cc(-c2cc(C(=O)N3CCCCC3)cc(-c3cc(N4CCCCC4)cs3)c2OC)cnc1OC,ZPILKVGRZIBDOR-UHFFFAOYSA-N
+rxn:5:190132:227315:226135,COC1CCN(C(=O)c2ccc(-c3cnc(CC(C)C)cc3F)cc2-c2cc(C3CC3)c(C#N)cc2C)CC1,LTCRKLDDNDBCOL-UHFFFAOYSA-N
+rxn:5:190194:226211:227056,COc1cccc(C2CC2)c1-c1c(CN2CCC(OC)CC2)cccc1-c1ccc2c(c1)CCN2C(C)=O,SMXLYHUSQPZYBH-UHFFFAOYSA-N
+rxn:5:190195:222417:225590,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(CN2CCCC2)c(F)c1,RCRKFWJWSOBUQL-UHFFFAOYSA-N
+rxn:5:190201:223113:223006,CC1CN(CCc2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2ccc(F)c(C3CCNCC3)c2)CCO1,BHZNTXWFYGCQDU-UHFFFAOYSA-N
+rxn:5:190201:226664:227501,CC1CN(CCc2cc(-c3cc(N4CCCC4)ncc3F)ccc2-c2ccc(C=C[N+](=O)[O-])cc2)CCO1,ZIMWZIZJRISKRB-UHFFFAOYSA-N
+rxn:5:190231:225980:228712,COc1c(-c2cc(N3CCOCC3)ncc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnn1C1CCC1,NKYJMMWLQXPSCQ-UHFFFAOYSA-N
+rxn:5:190264:226154:227815,CCC(C)c1ccccc1-c1ccc(CC(=O)N2CCC(C)CC2)cc1-c1ccc(C(C)(C)C)cc1OC,SYULVAFPPNMQCL-UHFFFAOYSA-N
+rxn:5:190264:226466:228120,CCOc1ncc(C)cc1-c1ccc(CC(=O)N2CCC(C)CC2)cc1-c1ccc2c(c1)OCC(=O)N2C,XCLGIKLAGOJJMX-UHFFFAOYSA-N
+rxn:5:190264:227530:227346,CCCc1cc(F)c(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2cc(C(=O)OC)ccc2F)c(F)c1,XXQTYUGXYZJCEI-UHFFFAOYSA-N
+rxn:5:190308:225804:227666,CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)N4CCC4)c(F)c3)cc2CCN2CCCC(C)C2)c(F)c1F,HWQOOJWFWLNWAS-UHFFFAOYSA-N
+rxn:5:190336:228563:227547,COc1c(-c2ccc(OC(F)F)c(C)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1cc(CC(C)C)cs1,NPIQPASROJIXFK-UHFFFAOYSA-N
+rxn:5:190404:225470:223353,CC(=O)Nc1cccc(-c2ccccc2C2CCN(C(=O)c3ccc(-c4ccc(N5CCC(C)CC5)cc4)o3)CCS2)c1,LZTJLKALTDNWGX-UHFFFAOYSA-N
+rxn:5:190418:227724:226840,Cc1cc(-c2cc(C#N)nc(C(F)(F)F)c2)ccc1N1C(=O)CC(Cc2ccc(-c3cc(OC(F)F)ccc3F)cc2)C1=O,CVAGDUNPIQGVNV-UHFFFAOYSA-N
+rxn:5:190484:223139:223312,O=C(c1cccc(-c2ccc(C3CCNCC3)nc2)c1)N1CCC(c2ccccc2-c2ccc(C3CNC3)cc2)S(=O)(=O)CC1,PXFMFTMASVWYFZ-UHFFFAOYSA-N
+rxn:5:190484:223147:223138,O=C(c1cccc(-c2ccc(C3CNCCO3)cc2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCNCC3)c2)S(=O)(=O)CC1,QWYCEFLZSPHGLK-UHFFFAOYSA-N
+rxn:5:190484:223147:223311,O=C(c1cccc(-c2ccc(C3CNCCO3)cc2)c1)N1CCC(c2ccccc2-c2cccc(C3CNC3)c2)S(=O)(=O)CC1,BYLZZSZRPQSGEC-UHFFFAOYSA-N
+rxn:5:190484:226466:223203,CN1C(=O)COc2cc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cccc(C6(O)CCC6)c5)S(=O)(=O)CC4)c3)ccc21,YQXBIYPSPJNYEU-UHFFFAOYSA-N
+rxn:5:190740:222989:223065,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3C)cc2c1-c1ccc(N2CCNCC2)cc1F,HGNVCVZXOFYAQI-UHFFFAOYSA-N
+rxn:5:190742:223006:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(F)c(C4CCNCC4)c3)c2c1-c1ccc(N2CCOCC2)nc1F,YDVOQUBYLDCGHY-UHFFFAOYSA-N
+rxn:5:190742:223062:223065,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(N2CCNCC2)cc1F,BUCUNBSOROMMNR-UHFFFAOYSA-N
+rxn:5:190742:223062:225631,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(N2CCN(C)CC2)cc1,XSQJHOILUWEEAP-UHFFFAOYSA-N
+rxn:5:190742:225784:223056,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccc(N2CCC(O)CC2)nc1,JTPSAAYQNSSKRP-UHFFFAOYSA-N
+rxn:5:190742:225834:223056,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,CMTFUYQQOXYEFQ-UHFFFAOYSA-N
+rxn:5:190742:225834:225784,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccc(CN2CCOCC2)nc1,SUBOOJZGPIGNKA-UHFFFAOYSA-N
+rxn:5:190742:225982:225784,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccc(CN2CCOCC2)nc1,DEIRVXZFJIMJLK-UHFFFAOYSA-N
+rxn:5:190742:226571:225976,CCOC(=O)c1cnc2c(C)ccc(-c3cnn(CC4CCOCC4)c3)c2c1-c1ccnc(N2CCOCC2)c1F,PRMAEMIFLQEJHA-UHFFFAOYSA-N
+rxn:5:190743:222992:225441,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCCCC4O)cc3)ccc2c1-c1cc(C2CC2)cnc1C(C)(C)C,CUPUWMURADVWPX-UHFFFAOYSA-N
+rxn:5:190744:223061:223064,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,WMJCEUBOLDWZIE-UHFFFAOYSA-N
+rxn:5:190796:223018:226062,CC(C)c1cc(-c2cccc3c2c(-c2ccc4c(c2)NC(=O)C(C)(C)O4)cn3C(=O)OC(C)(C)C)cc(C(C)C)c1,DQGXJBOBMXKHFX-UHFFFAOYSA-N
+rxn:5:190832:223056:226437,CCOC(=O)c1cnc2cc(C)c(-c3ccc(N4CCC(O)CC4)nc3)c(C)c2c1-c1cc(C2CCCC2)ncc1F,IYWIVXONUQCAFQ-UHFFFAOYSA-N
+rxn:5:190833:226973:227933,CCc1ccc(OC)cc1-c1ccc(-c2ccc3c(c2)C(C)(C)CO3)c2c1CN(C(=O)OC(C)(C)C)C2=O,SXEURMZSUDHXEP-UHFFFAOYSA-N
+rxn:5:190833:227045:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(-c2cccc(SC(C)(C)C)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,DKJBEQGMAVKNLY-UHFFFAOYSA-N
+rxn:5:190833:227045:227922,CCc1cc(OC)ccc1-c1ccc(-c2cccc(SC(C)(C)C)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,VYUVZQFWRLNEPI-UHFFFAOYSA-N
+rxn:5:190833:227048:227957,Cc1nc(C(C)C)ccc1-c1ccc(-c2ccc(C(=O)C(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,PKTZIAIUDKTZOX-UHFFFAOYSA-N
+rxn:5:190833:228781:226322,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(-c2ccc(C(F)F)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,SUHPITFFYXFTKU-UHFFFAOYSA-N
+rxn:5:190859:227048:226917,Cc1cc(-c2c(-c3ccc(C(=O)C(C)C)cc3)ccc3c2CCN3C(=O)OC(C)(C)C)cc(C(C)(C)C)c1,WHXBCQQTEIFNRH-UHFFFAOYSA-N
+rxn:5:190859:228133:225581,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(F)c(CC#N)c1)c2-c1ccc(CN2CCOCC2)cc1,BPGTZFBITJQYID-UHFFFAOYSA-N
+rxn:5:190859:228479:225445,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(F)c([N+](=O)[O-])c1)c2-c1ccccc1OC1CCCCC1,KRBIFADHJBIQJY-UHFFFAOYSA-N
+rxn:5:191026:227295:226862,COC(=O)C1=CN(c2ccc(C)c(-c3cccc(OC(F)(F)F)c3F)c2)c2cc(-c3ccnc(OC4CCC4)c3)ccc2S1(=O)=O,LHEGCQSNDUTDKN-UHFFFAOYSA-N
+rxn:5:191026:228401:225833,COC(=O)C1=CN(c2ccc(C)c(-c3ccnc(N4CCCCC4)c3F)c2)c2cc(-c3c(F)ccc(F)c3OC)ccc2S1(=O)=O,KINWYVXLJZSHBQ-UHFFFAOYSA-N
+rxn:5:191049:225924:226444,COc1cc(N2Cc3cc(-c4ccc(S(=O)(=O)N(C)C)cc4C)ccc3OCC2=O)c(OC)cc1-c1ccc(C2CCCO2)nc1C,WGQSTPYDWGIOQH-UHFFFAOYSA-N
+rxn:5:191049:225976:225834,COc1cc(N2Cc3cc(-c4ccnc(N5CCOCC5)c4F)ccc3OCC2=O)c(OC)cc1-c1cc(N2CCCCC2)ncc1F,RGELKHPWKSGFQN-UHFFFAOYSA-N
+rxn:5:192234:223018:225595,COc1c(-c2ccc(F)c(CN3CCCC3)c2)cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc1S(N)(=O)=O,YDGQTJJDUFEMOG-UHFFFAOYSA-N
+rxn:5:192236:223134:223054,COc1cc(-c2ccc(C(C)N3CCC(O)C3)s2)c(S(N)(=O)=O)cc1-c1cnccc1C1CCCNC1,WHXUFUXSFMTIFL-UHFFFAOYSA-N
+rxn:5:193051:226395:225986,O=C1CCCN1Cc1ccc(-c2cncc(N3CCCCC3)c2)cc1-c1ccccc1N1CCCS1(=O)=O,XILIILRBQOTBAF-UHFFFAOYSA-N
+rxn:5:193226:223062:227316,CC(C)Cc1cc(-c2cc(C(=O)N3CCOCC3)ccc2-c2cnc(C3CCNCC3)cc2F)cc(F)n1,PETDQWOQHAXLGQ-UHFFFAOYSA-N
+rxn:5:193226:226794:226395,O=C(c1ccc(-c2cnc(N3CCSCC3)nc2)c(-c2cncc(N3CCCCC3)c2)c1)N1CCOCC1,BSBHRQCJLCLOHP-UHFFFAOYSA-N
+rxn:5:193227:226664:225833,O=C(c1cc(-c2cc(N3CCCC3)ncc2F)cc(-c2ccnc(N3CCCCC3)c2F)c1)N1CCOCC1,ATHBXTUMCVUSCQ-UHFFFAOYSA-N
+rxn:5:193228:223173:226414,O=C(c1cc(-c2ccc(C3=NCCCO3)cc2)cc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1)N1CCSCC1,FCGKYUHKAXXPLJ-UHFFFAOYSA-N
+rxn:5:193229:223006:225976,O=C(c1cccc(-c2ccc(F)c(C3CCNCC3)c2)c1-c1ccnc(N2CCOCC2)c1F)N1CCOCC1,PBYUMWDVSFBYSS-UHFFFAOYSA-N
+rxn:5:193229:226158:225811,O=C(c1cccc(-c2ccccc2N2CCCCC2)c1-c1ccc(C2(C(F)(F)F)CC2)cc1)N1CCOCC1,OVPOPYCYSRUCMR-UHFFFAOYSA-N
+rxn:5:193229:227795:225462,CC1CCN(c2cccc(-c3c(C(=O)N4CCOCC4)cccc3-c3ccc(F)c([N+](=O)[O-])c3F)c2)CC1,YWRHQNNISMZWDF-UHFFFAOYSA-N
+rxn:5:193230:225623:225946,CC(=O)c1cc(-c2cc(-c3cccc(OC4CCOCC4)c3)ccc2C(=O)N2CCOCC2)cc(C(F)(F)F)c1,KKXFXFQPJRIFOP-UHFFFAOYSA-N
+rxn:5:193230:227376:223064,O=C(c1ccc(-c2cncc(N3CCCC3)c2)cc1-c1ccc(C2CCNCC2)nc1F)N1CCOCC1,PFESRZIANYYTAS-UHFFFAOYSA-N
+rxn:5:193335:225803:223113,CC1(C)C(=O)Nc2ccc(-c3cccc(-c4ccnc(OC5CCOCC5)c4)c3CN3CCOCC3)cc21,WMJUHHBRIZGKIN-UHFFFAOYSA-N
+rxn:5:193382:223011:226583,CC(C)Oc1cc2cn[nH]c2cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(CN3CCOCC3)s2)c1,KGOWNAFJWMQHBK-UHFFFAOYSA-N
+rxn:5:193382:223138:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3ccnc(C4CCNCC4)c3)ccc2S(=O)(=O)N2CCOCC2)c1,ACWWJKCEHJEQJU-UHFFFAOYSA-N
+rxn:5:193382:223189:226645,CS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(N4CCOCC4)c3)c2)c(F)c1,KAWQXKRGDSXPPG-UHFFFAOYSA-N
+rxn:5:193382:225874:227660,Cc1ccc(C(F)(F)F)cc1-c1cc(-c2ccc(F)c(N3CCOCC3)c2)ccc1S(=O)(=O)N1CCOCC1,AXIIBMJXUWKFOQ-UHFFFAOYSA-N
+rxn:5:193382:226366:226679,O=S(=O)(c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1cnc(N2CCCC2)cc1F)N1CCOCC1,ZLVFNLYKFIQTNU-UHFFFAOYSA-N
+rxn:5:193382:227684:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2cnn(CC3OCCO3)c2)ccc1S(=O)(=O)N1CCOCC1,MQMODGCQTXUZGY-UHFFFAOYSA-N
+rxn:5:193460:223173:225834,O=C(c1cccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1-c1cc(N2CCCCC2)ncc1F)N1CCCCC1,VEOOLLUZBWGJID-UHFFFAOYSA-N
+rxn:5:193467:227063:225672,Cc1ccc(-c2ccc(-c3cc(F)nc(C4CCCCC4)c3)cc2C(=O)N2CCC[C@@H]2C)c(OC(C)C)c1,FWURXZYMJUMHNG-QHCPKHFHSA-N
+rxn:5:193469:225597:225661,Cc1cc(N2CCOCC2)ccc1-c1cc(-c2ccc(OC3CCCCC3)nc2)ccc1C(=O)N1CCC[C@H]1C,AKSONYMTPXVWTF-RUZDIDTESA-N
+rxn:5:193469:225926:227785,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1-c1ccc(F)nc1C(F)(F)F,HYABFURLTLZJMV-QGZVFWFLSA-N
+rxn:5:193506:223139:225805,CC(c1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,WQJPXGIHGFDKDL-UHFFFAOYSA-N
+rxn:5:193506:223140:227506,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCCNC4)c3)cc2-c2cccc(/C=C/[N+](=O)[O-])c2)CC1,LDLUBWAKSBWJIG-CXUHLZMHSA-N
+rxn:5:193506:223285:227437,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccnc(C3CCCO3)c2)c1,RLFDBEMXKIAIPD-UHFFFAOYSA-N
+rxn:5:193506:226364:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)nc3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,YEUXTCWITUGKKV-UHFFFAOYSA-N
+rxn:5:193506:226661:226452,CN1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccc(C5OCCCO5)cc4)c3)c2)CC1,IOPPALANAPQTIH-UHFFFAOYSA-N
+rxn:5:193506:227416:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CCC4)c3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,ICGXQGFQFMIJPS-UHFFFAOYSA-N
+rxn:5:193506:227611:226328,CC(C)(C#N)c1ccc(-c2cc(-c3ccnn3C3CCCCO3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1F,IJNDBPXACZEAKT-UHFFFAOYSA-N
+rxn:5:193506:227954:226412,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCC4)nc3)cc2-c2cc(F)cc(N3CCCC3)c2)CC1,YYVHLTDMEMTAEP-UHFFFAOYSA-N
+rxn:5:193506:227967:226412,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3C3CCC3)cc2-c2cc(F)cc(N3CCCC3)c2)CC1,LDXGICXROYQZGK-UHFFFAOYSA-N
+rxn:5:193506:227998:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3C3CC3)cc2-c2ccc(N3CCCCC3)nc2)CC1,JSBUFKGXSZQENW-UHFFFAOYSA-N
+rxn:5:193506:228012:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3C3CC3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,SFMHIOOSZSZAHN-UHFFFAOYSA-N
+rxn:5:193506:228020:225633,O=C1CCN(S(=O)(=O)c2ccc(-c3c(F)cccc3C3CC3)cc2-c2ccc(N3CCCCCC3)nc2)CC1,ZDNUDDLVTQXMQD-UHFFFAOYSA-N
+rxn:5:193506:228214:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)cc3F)cc2-c2ccc(C3=NCCCO3)cc2)CC1,IEPUWELQWIOBII-UHFFFAOYSA-N
+rxn:5:193652:223061:227279,CC(C)n1nc(C2CC2)cc1-c1ccc(C=C2N=C(c3ccc(-c4cc(C5CCNCC5)ncc4F)cc3)OC2=O)cc1,SJMGAMJOQNOZDG-UHFFFAOYSA-N
+rxn:5:193710:225435:225593,O=C1C(=Cc2ccc(-c3cc(F)cc(CN4CCCC4)c3)cc2)SC(=S)N1c1cccc(-c2ccccc2CN2CCCCC2)c1,BNAGUJBARFFMDB-UHFFFAOYSA-N
+rxn:5:193748:226152:227203,COc1cc(C2CC2)cc(-c2ccc(-c3ccc4c(c3)OCCCO4)c(C(=O)N3CCCC(C)C3)c2)c1C,LMUMSSSUSMPXMO-UHFFFAOYSA-N
+rxn:5:193750:227689:226139,CC1CCN(C(=O)c2cc(-c3ccc(CC(F)(F)F)nc3)ccc2-c2cc(C3CC3)cnc2C2CC2)CC1,BMZGNUCHDGGHOA-UHFFFAOYSA-N
+rxn:5:193754:226664:225985,CC1CCN(C(=O)c2cccc(-c3cc(N4CCCC4)ncc3F)c2-c2cccc(N3CCCS3(=O)=O)c2)CC1,BMPVMMUDNBGDOP-UHFFFAOYSA-N
+rxn:5:193756:226191:228496,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCCC3)ccc2F)cc1-c1cnn(CC(F)(F)F)c1,KUUOUWAHGJJVEP-UHFFFAOYSA-N
+rxn:5:193807:225453:227592,COc1cc(F)cc(-c2cccc(CN3CCC(C)CC3)c2-c2cccc(SC3CCCCC3)c2)c1OC,OQZKCZJCKIDEFF-UHFFFAOYSA-N
+rxn:5:193867:226349:228177,COCc1ccc(F)cc1-c1cc(-c2cc(F)cc(OC(C)(C)C)c2)cc(C2(N3CCC(=O)CC3)CC2)c1,PFHJLHZTQHWJNA-UHFFFAOYSA-N
+rxn:5:193868:227315:227069,COc1ccc(-c2ccc(-c3cnc(CC(C)C)cc3F)cc2C(=O)N2CC(C)OC(C)C2)c(C(C)C)c1,UWTNLFIYEDFFTD-UHFFFAOYSA-N
+rxn:5:193868:227825:226576,CC1CN(C(=O)c2cc(-c3cccc(C4CCC4)c3)ccc2-c2ccc(F)c(C(=O)N(C)C)c2)CC(C)O1,GDTRYAFKJQULQD-UHFFFAOYSA-N
+rxn:5:193869:222958:228868,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(C)c(C4CCNCC4)c3)cc2C)s1,KSPTYIRHBBDGNK-UHFFFAOYSA-N
+rxn:5:193869:222994:228890,Cc1cc(-c2cccc(N3CCC(O)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(F)c(C#N)c1,ISSPPKXPFBRKQG-UHFFFAOYSA-N
+rxn:5:193869:225449:228890,Cc1cc(-c2cccc(OC3CCCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(F)c(C#N)c1,RCRFVSXFTNDGFJ-UHFFFAOYSA-N
+rxn:5:193869:225454:228701,Cc1cc(-c2ccc(C3=CCN(C)CC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C2CC2)nc1,SBNZMVKMCKPNIO-UHFFFAOYSA-N
+rxn:5:193869:225597:228885,Cc1cc(-c2ccc(OC3CCCCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C#N)c(F)c1,BFVVGOZRZCFKKP-UHFFFAOYSA-N
+rxn:5:193869:225636:228584,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(C2CC2)c1,RYWHXAGKGMMTGM-UHFFFAOYSA-N
+rxn:5:193869:225654:228890,Cc1cc(-c2ccc(N3CCCC(C)C3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(F)c(C#N)c1,PSGGMKFYLYITKN-UHFFFAOYSA-N
+rxn:5:193869:225655:228234,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1c(C2CC2)ccnc1F,UDFHYYGIOPKPFD-UHFFFAOYSA-N
+rxn:5:193869:225655:228516,CCc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3cncc(N4CCC(C)CC4)c3)cc2C)c1,PAUPYFDSOJLFHW-UHFFFAOYSA-N
+rxn:5:193869:225655:228584,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(C2CC2)c1,VTXNWMKIGJFQEV-UHFFFAOYSA-N
+rxn:5:193869:225833:228584,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(C2CC2)c1,NBUBDXWGIBOINM-UHFFFAOYSA-N
+rxn:5:193869:226371:227117,Cc1cc(N2CCCC2)ncc1-c1cc(C)c(-c2cc(C3CC3)cc(C)c2F)cc1S(=O)(=O)N1CCCCC1,FIBLCARSURBWNT-UHFFFAOYSA-N
+rxn:5:193869:226395:227837,Cc1cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3cncc(N4CCCCC4)c3)cc2C)cc(C2CC2)c1,WFIJMNAVNOAXKQ-UHFFFAOYSA-N
+rxn:5:193869:226901:223340,Cc1cc(-c2cccc(S(F)(F)(F)(F)F)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)NCCO2,PQRUOUOTZSHGRW-UHFFFAOYSA-N
+rxn:5:193869:227051:226174,CCC(=O)c1ccc(-c2cc(C)c(-c3ccc(C4CCCCC4)nc3)cc2S(=O)(=O)N2CCCCC2)c(C)c1,IBNHTFQQVTVDRV-UHFFFAOYSA-N
+rxn:5:193869:227834:226395,Cc1cc(-c2ccc(C3CC3)c(C)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCCCC2)c1,XTYWCKUUWUIANG-UHFFFAOYSA-N
+rxn:5:193869:228584:225634,Cc1cc(-c2ccnc(C3CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCCC2)c(C)c1,HKQNGNAQSOIOQM-UHFFFAOYSA-N
+rxn:5:193869:228584:225849,Cc1cc(-c2ccnc(C3CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,FZRIPVUAGDPSIC-UHFFFAOYSA-N
+rxn:5:193869:228635:225655,Cc1cc(-c2ccc(F)c(C)c2C)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCC(C)CC2)c1,FPPAIAVQACNZHA-UHFFFAOYSA-N
+rxn:5:193869:228637:225638,Cc1cc(-c2cc(C)c(-c3ccc(N4CCC(C)CC4)nc3)cc2S(=O)(=O)N2CCCCC2)c(C)cc1F,BOMQHXKNGSQVOZ-UHFFFAOYSA-N
+rxn:5:193869:228637:225641,Cc1cc(-c2cc(C)c(-c3ccnc(N4CCCC(C)C4)c3)cc2S(=O)(=O)N2CCCCC2)c(C)cc1F,OAHYLTNZQNNINT-UHFFFAOYSA-N
+rxn:5:193869:228744:225849,Cc1cc(-c2ccc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,UFVDLUCUFUVWMS-UHFFFAOYSA-N
+rxn:5:193869:228753:225634,Cc1cc(-c2cccc(F)c2C#N)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCCC2)c(C)c1,RWSXLPARAWQXPT-UHFFFAOYSA-N
+rxn:5:193869:228761:225982,COc1cc(-c2cc(C)c(-c3cnc(N4CCOCC4)cc3F)cc2S(=O)(=O)N2CCCCC2)cnc1C,XYQLKIUBBYSZHE-UHFFFAOYSA-N
+rxn:5:193869:228890:225611,COc1cc(N2CCCC2)ccc1-c1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(F)c(C#N)c2)cc1C,WDFIWJLGMJYKAQ-UHFFFAOYSA-N
+rxn:5:193870:223146:225986,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccccc2N2CCCS2(=O)=O)cc1-c1cccc(C2CNCCO2)c1,RPBQSLKZWHXEFU-UHFFFAOYSA-N
+rxn:5:193870:223146:227656,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(N3CCOCC3)cs2)cc1-c1cccc(C2CNCCO2)c1,DOAFQUBIDFWPBI-UHFFFAOYSA-N
+rxn:5:193870:223146:228330,CCOc1cc(-c2cc(-c3cccc(C4CNCCO4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cnc1F,PYLMBNSGPPUSGH-UHFFFAOYSA-N
+rxn:5:193870:225455:228890,Cc1ccc(N2CCCCC2)cc1-c1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCC2)cc1C,KBMFGKUVBQWLLC-UHFFFAOYSA-N
+rxn:5:193870:225462:228811,CSc1ccc(F)c(-c2cc(-c3cccc(N4CCC(C)CC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,DKGGEPKRNRHMAP-UHFFFAOYSA-N
+rxn:5:193870:225470:228890,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(F)c(C#N)c2)cc1-c1ccc(N2CCC(C)CC2)cc1,NEVNXFBOTJXGQZ-UHFFFAOYSA-N
+rxn:5:193870:225597:228890,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(F)c(C#N)c2)cc1-c1ccc(OC2CCCCC2)nc1,OXKMVYDVGPHLNC-UHFFFAOYSA-N
+rxn:5:193870:225613:228890,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(F)c(C#N)c2)cc1-c1ccnc(OC2CCCCC2)c1,ZLRWQCBBUPETRO-UHFFFAOYSA-N
+rxn:5:193870:225638:228635,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(F)c(C)c2C)cc1-c1ccc(N2CCC(C)CC2)nc1,PWJUCYIJJCFMLX-UHFFFAOYSA-N
+rxn:5:193870:225638:228753,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(F)c2C#N)cc1-c1ccc(N2CCC(C)CC2)nc1,VIGCGQAGEJCIFC-UHFFFAOYSA-N
+rxn:5:193870:225655:228012,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(F)c2C2CC2)cc1-c1cncc(N2CCC(C)CC2)c1,QPHIZGMMBHMTTB-UHFFFAOYSA-N
+rxn:5:193870:225679:227300,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(OC3CCC3)c2)cc1-c1ccc(N2CCCCC2)cc1F,RRKQHQSILIMQGN-UHFFFAOYSA-N
+rxn:5:193870:226364:227834,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CC3)c(C)c2)cc1-c1ccc(N2CCCCC2)nc1,OMQMFJQBDVTNJZ-UHFFFAOYSA-N
+rxn:5:193870:226364:227837,Cc1cc(-c2cc(-c3ccc(N4CCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,MNEHERBVRWTXSA-UHFFFAOYSA-N
+rxn:5:193870:226366:223061,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccnc(N2CCCCC2)c1,BXVBJHOEAFIZJG-UHFFFAOYSA-N
+rxn:5:193870:226395:227828,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(C3CC3)c2C)cc1-c1cncc(N2CCCCC2)c1,NOBMAPCIGHDNOJ-UHFFFAOYSA-N
+rxn:5:193870:226395:227834,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CC3)c(C)c2)cc1-c1cncc(N2CCCCC2)c1,VSPRZGCYFIUACR-UHFFFAOYSA-N
+rxn:5:193870:226432:227868,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)OCCC3)cc1-c1ccc(C2CCCC2)nc1F,OIRSJKDAVUSWPY-UHFFFAOYSA-N
+rxn:5:193870:228012:226364,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCCCC3)nc2)cc1-c1cccc(F)c1C1CC1,RCQLRKZJCYKRLL-UHFFFAOYSA-N
+rxn:5:193870:228234:225655,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(N3CCC(C)CC3)c2)cc1-c1c(C2CC2)ccnc1F,MKUHEHQBPUNJOA-UHFFFAOYSA-N
+rxn:5:193870:228505:226583,CCCc1ccc(-c2cc(-c3ccc(CN4CCOCC4)s3)c(S(=O)(=O)N3CCCCC3)cc2C)cc1,QANNADMXCDAGNA-UHFFFAOYSA-N
+rxn:5:193870:228637:225638,Cc1cc(-c2cc(-c3ccc(N4CCC(C)CC4)nc3)c(S(=O)(=O)N3CCCCC3)cc2C)c(C)cc1F,IJEDYFNEMXYUJY-UHFFFAOYSA-N
+rxn:5:193870:228637:225639,Cc1cc(-c2cc(-c3cccnc3N3CCC(C)CC3)c(S(=O)(=O)N3CCCCC3)cc2C)c(C)cc1F,DBNWUPRXNAGWLZ-UHFFFAOYSA-N
+rxn:5:193870:228639:225634,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCCC3)c(C)c2)cc1-c1ccc(C)c(F)c1C,MFKQAOBRCLSTSX-UHFFFAOYSA-N
+rxn:5:193870:228701:225454,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3=CCN(C)CC3)cc2)cc1-c1cnc(C2CC2)nc1,WMPAHTVDVHQRAZ-UHFFFAOYSA-N
+rxn:5:193870:228885:225462,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(N3CCC(C)CC3)c2)cc1-c1cnc(C#N)c(F)c1,UNYXNQLUWAEYAD-UHFFFAOYSA-N
+rxn:5:193870:228890:225634,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCCC3)c(C)c2)cc1-c1cnc(F)c(C#N)c1,PTSYTSIBXUPQOD-UHFFFAOYSA-N
+rxn:5:193870:228890:225640,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCCCC3C)c2)cc1-c1cnc(F)c(C#N)c1,PSGBRUJBVJSROZ-UHFFFAOYSA-N
+rxn:5:193871:223088:225804,O=C(c1ccc(-c2ccc(C(=O)N3CCC3)c(F)c2)c(-c2ccnc3[nH]c(C(F)(F)F)cc23)c1)N1CCC2(CC1)CC2,SVZNBDWJYZJIGG-UHFFFAOYSA-N
+rxn:5:193871:225656:227450,CC1CCCCN1c1cncc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cccc(C3CC3(F)F)c2)c1,FJEAXPBBIVCENA-UHFFFAOYSA-N
+rxn:5:193871:226447:226645,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2)c(-c2ccnc(C3CCOCC3)c2)c1)N1CCC2(CC1)CC2,WXZXGYGIFLXBRC-UHFFFAOYSA-N
+rxn:5:193871:227525:225590,CCc1cnc(C(F)F)cc1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1ccc(CN2CCCC2)c(F)c1,UOIZVLFVSFFBLX-UHFFFAOYSA-N
+rxn:5:193932:227020:227696,COC(=O)c1ccc(-c2ccc(C(=O)N3CC(C)CC(C)C3)cc2-c2cncc(C#CC3CC3)c2)c(F)n1,NITARSPFAZYTBO-UHFFFAOYSA-N
+rxn:5:193967:227507:223295,CS(=O)(=O)Nc1cncc(-c2cc(-c3cccc(C=C[N+](=O)[O-])c3)ccc2CN2CCC3(CC2)OCCO3)c1,IXTFPYXKTGVHLF-UHFFFAOYSA-N
+rxn:5:193968:226661:228328,CCOc1ccc(-c2ccc(-c3cc(N4CCN(C)CC4)cs3)cc2CN2CCC3(CC2)OCCO3)c(F)n1,WVAFSYJJDQQNAN-UHFFFAOYSA-N
+rxn:5:193972:223056:228987,Cc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCC(O)CC4)nc3)cc2C)c1,PVJZVRPBKUWRSQ-UHFFFAOYSA-N
+rxn:5:193972:223146:228868,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccc(C4CNCCO4)c3)cc2C)s1,ZCPIMXNYJNAWTL-UHFFFAOYSA-N
+rxn:5:193972:225454:229067,CCc1ncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2C)cn1,LXFDFXBBVJGPKR-UHFFFAOYSA-N
+rxn:5:193972:225454:229225,CCn1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2C)cn1,FPJJYEJZHUGUPP-UHFFFAOYSA-N
+rxn:5:193972:225455:228584,Cc1cc(-c2cc(N3CCCCC3)ccc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C2CC2)c1,IVESPUSNUNRDQN-UHFFFAOYSA-N
+rxn:5:193972:225455:228890,Cc1cc(-c2cc(N3CCCCC3)ccc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C#N)c1,PQWGILSLXPABCL-UHFFFAOYSA-N
+rxn:5:193972:225461:228584,Cc1cc(-c2ccc(N3CCCCC3)cc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C2CC2)c1,QEUFUCGMQKNHJE-UHFFFAOYSA-N
+rxn:5:193972:225462:228995,CCc1cncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccc(N4CCC(C)CC4)c3)cc2C)c1,YHORTDCQQODBIM-UHFFFAOYSA-N
+rxn:5:193972:225462:229097,Cc1cc(-c2cccc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C)c1,FYDOFCRHWWVTED-UHFFFAOYSA-N
+rxn:5:193972:225462:229107,Cc1cc(-c2cccc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)cncc1F,WVWHZHPKQFMMDD-UHFFFAOYSA-N
+rxn:5:193972:225633:228890,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C#N)c1,QFNCVCAHZXBAJC-UHFFFAOYSA-N
+rxn:5:193972:225633:228987,Cc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCCC4)nc3)cc2C)c1,SJYXJXLJNYVXLL-UHFFFAOYSA-N
+rxn:5:193972:225633:229041,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)cccc1F,VOBUOJQHLMVXFM-UHFFFAOYSA-N
+rxn:5:193972:225634:228744,Cc1cc(-c2cnc(N3CCCCC3)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(F)c(C#N)c1,ABYCTTOYELCOST-UHFFFAOYSA-N
+rxn:5:193972:225634:228753,Cc1cc(-c2cnc(N3CCCCC3)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(F)c1C#N,NCDMWHSSZZYZSH-UHFFFAOYSA-N
+rxn:5:193972:225636:229029,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCC(C)CC4)c3)cc2C)ccc1F,GSDQPTBVMMRMEM-UHFFFAOYSA-N
+rxn:5:193972:225636:229037,Cc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCC(C)CC4)c3)cc2C)cc1F,MWULVPPXRSAPBH-UHFFFAOYSA-N
+rxn:5:193972:225636:229041,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)cccc1F,NKMKREQOUXCAGI-UHFFFAOYSA-N
+rxn:5:193972:225636:229107,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)cncc1F,VGYIXHACXGNASV-UHFFFAOYSA-N
+rxn:5:193972:225638:223440,Cc1cc(-c2ccc(N3CCC(C)CC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2CC2)[nH]1,IIWWVAVIYFHFJT-UHFFFAOYSA-N
+rxn:5:193972:225639:228987,Cc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccnc3N3CCC(C)CC3)cc2C)c1,BOYRDRHPKARRTN-UHFFFAOYSA-N
+rxn:5:193972:225639:229097,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C)c1,RTDAYTRNUPQQIC-UHFFFAOYSA-N
+rxn:5:193972:225655:228584,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C2CC2)c1,UXOIUBKMDBKVIK-UHFFFAOYSA-N
+rxn:5:193972:225655:228744,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(F)c(C#N)c1,BRZWKLLCCCWYBV-UHFFFAOYSA-N
+rxn:5:193972:225655:228890,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C#N)c1,XOKYQPSNOOJABD-UHFFFAOYSA-N
+rxn:5:193972:225655:229029,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cncc(N4CCC(C)CC4)c3)cc2C)ccc1F,YISSOQFDUJUOMV-UHFFFAOYSA-N
+rxn:5:193972:225655:229037,Cc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cncc(N4CCC(C)CC4)c3)cc2C)cc1F,SALFAKUUIZXSKG-UHFFFAOYSA-N
+rxn:5:193972:225655:229097,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C)c1,UYEPSGGQTKFAJN-UHFFFAOYSA-N
+rxn:5:193972:225655:229099,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)ccnc1F,JHMDVMAPZCRAPO-UHFFFAOYSA-N
+rxn:5:193972:225679:229058,Cc1cc(-c2ccc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1C#N,HBEZJOOAIUWTAF-UHFFFAOYSA-N
+rxn:5:193972:225985:228890,Cc1cc(-c2cccc(N3CCCS3(=O)=O)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C#N)c1,YIBZUSPUZPRNAQ-UHFFFAOYSA-N
+rxn:5:193972:226164:228930,CSc1c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCC4)cc3)cc2C)ccnc1F,KDESSYPCRMHNGF-UHFFFAOYSA-N
+rxn:5:193972:226338:228890,Cc1cc(-c2ccnc(OC3CCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C#N)c1,VTJMAGJGXLCDEQ-UHFFFAOYSA-N
+rxn:5:193972:226364:228516,CCc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCC4)nc3)cc2C)c1,DJUSCVKQYIFNGH-UHFFFAOYSA-N
+rxn:5:193972:226654:228824,Cc1cc(F)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3csc(N4CCC(C)CC4)n3)cc2C)c(F)c1,UHZZJYUCIFYYNN-UHFFFAOYSA-N
+rxn:5:193972:226662:223148,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1C1CNCCO1,MEQHQUZVKKHBCV-UHFFFAOYSA-N
+rxn:5:193972:228180:225656,COCc1cc(-c2cc(C)c(-c3cncc(N4CCCCC4C)c3)cc2S(=O)(=O)N2CCCCCC2)ccc1F,KNSJCAMAFPMGDG-UHFFFAOYSA-N
+rxn:5:193972:228584:226658,Cc1cc(-c2ccnc(C3CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCC2)nc1F,BOTUYABJFVASQV-UHFFFAOYSA-N
+rxn:5:193972:228635:225636,Cc1cc(-c2ccc(F)c(C)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,CMILMIMOYXJGER-UHFFFAOYSA-N
+rxn:5:193972:228639:226366,Cc1cc(-c2ccc(C)c(F)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,USQNWWMMMRDLSN-UHFFFAOYSA-N
+rxn:5:193972:228753:226364,Cc1cc(-c2cccc(F)c2C#N)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)nc1,XGZPOBIOMVOHDT-UHFFFAOYSA-N
+rxn:5:193972:228890:225633,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCCC2)nc1,TWWZHMIPFXKBIG-UHFFFAOYSA-N
+rxn:5:193972:228984:225636,Cc1ccc(C)c(-c2cc(C)c(-c3ccnc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,QIHDNVXNKVNVEO-UHFFFAOYSA-N
+rxn:5:193972:228984:225655,Cc1ccc(C)c(-c2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,OGKFUKUDMZAJCY-UHFFFAOYSA-N
+rxn:5:193972:228985:225633,Cc1ccc(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(C)c1,MDLDTVKDGDGHOL-UHFFFAOYSA-N
+rxn:5:193972:228985:225636,Cc1ccc(-c2cc(C)c(-c3ccnc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(C)c1,SPMWHNPYIFBCPH-UHFFFAOYSA-N
+rxn:5:193972:228985:225655,Cc1ccc(-c2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(C)c1,ZLGFULXJOFYCOV-UHFFFAOYSA-N
+rxn:5:193972:228987:225638,Cc1cc(C)cc(-c2cc(C)c(-c3ccc(N4CCC(C)CC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c1,NFLFSNGZZXULJX-UHFFFAOYSA-N
+rxn:5:193972:228989:225633,Cc1cc(-c2c(C)cccc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCCC2)nc1,CJZKMUMEEFNLHE-UHFFFAOYSA-N
+rxn:5:193972:229029:225634,Cc1cc(-c2cc(C)c(-c3cnc(N4CCCCC4)c(C)c3)cc2S(=O)(=O)N2CCCCCC2)ccc1F,PJZBYPCMBMJRLA-UHFFFAOYSA-N
+rxn:5:193972:229029:225636,Cc1cc(-c2cc(C)c(-c3ccnc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)ccc1F,IOIPHSAIGGIXRT-UHFFFAOYSA-N
+rxn:5:193972:229029:225655,Cc1cc(-c2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)ccc1F,PIZOMLBLQSMSJK-UHFFFAOYSA-N
+rxn:5:193972:229037:225634,Cc1ccc(-c2cc(C)c(-c3cnc(N4CCCCC4)c(C)c3)cc2S(=O)(=O)N2CCCCCC2)cc1F,JFQJLYMCQSHKHO-UHFFFAOYSA-N
+rxn:5:193972:229037:225636,Cc1ccc(-c2cc(C)c(-c3ccnc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1F,GVCWUBYLEPHCTG-UHFFFAOYSA-N
+rxn:5:193972:229037:225655,Cc1ccc(-c2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1F,SRVPKELGRTYWCV-UHFFFAOYSA-N
+rxn:5:193972:229045:225639,Cc1cc(F)cc(-c2cc(C)c(-c3cccnc3N3CCC(C)CC3)cc2S(=O)(=O)N2CCCCCC2)c1,OTBKQXISAXNAGQ-UHFFFAOYSA-N
+rxn:5:193972:229067:225454,CCc1ncc(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)cn1,WXRFAJLHOULQJG-UHFFFAOYSA-N
+rxn:5:193972:229097:225634,Cc1cc(-c2cnc(F)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCCC2)c(C)c1,BGBLLSJGUMLBBC-UHFFFAOYSA-N
+rxn:5:193972:229097:225638,Cc1cc(-c2cnc(F)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCC(C)CC2)nc1,JTCKEXSPVCJKDI-UHFFFAOYSA-N
+rxn:5:193972:229224:225454,CCn1nccc1-c1cc(C)c(-c2ccc(C3=CCN(C)CC3)cc2)cc1S(=O)(=O)N1CCCCCC1,VTQPOVKNBSHAGL-UHFFFAOYSA-N
+rxn:5:193972:229225:225454,CCn1cc(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)cn1,LIGHCLJLWCWKJK-UHFFFAOYSA-N
+rxn:5:194058:222989:223054,Cc1cc(N2CCNCC2)ccc1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C(C)N2CCC(O)C2)s1,OEJAVPBTSLOGCV-UHFFFAOYSA-M
+rxn:5:194058:223054:222989,Cc1cc(N2CCNCC2)ccc1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C(C)N2CCC(O)C2)s1,WNFPXAHDXCRJKN-UHFFFAOYSA-M
+rxn:5:194058:225607:222958,Cc1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCCCC3)s2)cc1C1CCNCC1,AGUGAVBIVDZALS-UHFFFAOYSA-M
+rxn:5:194058:225607:222959,Cc1cc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCCCC3)s2)ccc1C1CCNCC1,PSVKLCZOOGYLNE-UHFFFAOYSA-M
+rxn:5:194058:225607:222980,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(CN3CCNCC3)cc2)s1)N1CCCCC1,PKSZNLKORUBBMM-UHFFFAOYSA-M
+rxn:5:194058:225607:222989,Cc1cc(N2CCNCC2)ccc1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C(C)N2CCCCC2)s1,ACMFCNMDKDFELZ-UHFFFAOYSA-M
+rxn:5:194561:226736:226732,N#Cc1cc(C(F)(F)F)ccc1-c1ccc(-c2ccc(C#N)c(C(F)(F)F)c2)c(C(=O)N2C3CCC2COC3)c1,SGAXJJRFLPNAQW-UHFFFAOYSA-N
+rxn:5:194658:225666:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc2c(c1)CN(Cc1cccc(-c3cc(F)cc(N4CCCCC4)c3)c1)C(=O)CO2,DEKJKLAQMKREKJ-UHFFFAOYSA-N
+rxn:5:194688:226654:226596,COc1cc(-c2ccc(F)c(OC(C)C)c2F)cc2c1OCC(=O)N(c1ccc(-c3csc(N4CCC(C)CC4)n3)cc1)C2,PPTIRXKJPZUHDL-UHFFFAOYSA-N
+rxn:5:194767:225978:223061,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(N5CCOCC5)nc4F)ccc3-c3cc(C4CCNCC4)ncc3F)C2)c2ccccc21,AXCVWCSCCRTQQU-UHFFFAOYSA-N
+rxn:5:194782:227352:228597,COC(=O)c1ccc(C)cc1-c1ccc(-c2c(C)cccc2C#N)c(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1,SVUSGLCQTVVCPH-UHFFFAOYSA-N
+rxn:5:194791:228468:227117,Cc1cc(C2CC2)cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5cncc([N+](=O)[O-])c5C)C(=O)C34)cc2)c1F,LIWHKEIKUBBWHU-UHFFFAOYSA-N
+rxn:5:194792:223004:227921,COC(C)c1cccc(-c2ccc(N3C(=O)C4C(c5ccc(-c6ccc(C7CCNCC7)c(F)c6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)c1,XDMXVSZGNINZHB-UHFFFAOYSA-N
+rxn:5:194792:228821:227379,Cc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cccnc6N6CCCC6)cc5)C(=O)C34)cc2)c(F)c1F,XJYDHAIZUKREDB-UHFFFAOYSA-N
+rxn:5:196198:226366:223065,O=C1C=CC(=O)N1c1ccc(-c2ccnc(N3CCCCC3)c2)c(-c2ccc(N3CCNCC3)cc2F)c1,IJJQGQRFTMGFGE-UHFFFAOYSA-N
+rxn:5:196198:226441:223056,O=C1C=CC(=O)N1c1ccc(-c2ccc(N3CCCC3)cc2F)c(-c2ccc(N3CCC(O)CC3)nc2)c1,DRWUGFBEGVRYJA-UHFFFAOYSA-N
+rxn:5:196198:226679:223056,O=C1C=CC(=O)N1c1ccc(-c2cnc(N3CCCC3)cc2F)c(-c2ccc(N3CCC(O)CC3)nc2)c1,RKAFDTZEORTCHE-UHFFFAOYSA-N
+rxn:5:196408:225832:223062,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1C1=NOCCO1,OBQBLMFNSHGTFL-UHFFFAOYSA-N
+rxn:5:196618:225924:225833,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(-c2ccnc(N3CCCCC3)c2F)c(N2CCCC2=O)c1,RSUKDDFOYRBCJP-UHFFFAOYSA-N
+rxn:5:196620:225833:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCC2=O)c(-c2ccnc(N3CCCCC3)c2F)c1,RIENNVPTDZXHKN-UHFFFAOYSA-N
+rxn:5:196620:225986:225461,Cc1cc(N2CCCCC2)ccc1-c1ccc(N2CCCC2=O)c(-c2ccccc2N2CCCS2(=O)=O)c1,ADKLNQYZXQBDRM-UHFFFAOYSA-N
+rxn:5:196858:222987:222958,Cc1ccc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCNCC3)nc2C)cc1C1CCNCC1,JLGFOJWVFJLPOV-UHFFFAOYSA-N
+rxn:5:196858:222988:223007,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2cc(F)cc(C3CCNCC3)c2)cc(C2CCNCC2)n1,ISFIPEPWHIWCFC-UHFFFAOYSA-N
+rxn:5:196858:226654:222988,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2csc(N3CCC(C)CC3)n2)cc(C2CCNCC2)n1,YQUUKBJEEJHKKJ-UHFFFAOYSA-N
+rxn:5:196858:226686:226652,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2c(C)cnn2C2CCCCO2)n(C2CCCCO2)n1,KLSTYWQRMAYXBW-UHFFFAOYSA-N
+rxn:5:196859:225683:222986,Cc1cc(-c2nccc(C3CCOCC3)c2-c2ccc(C3CCCOC3)nc2C)cc(C2CCCNC2)n1,WJIHPYJESRJKSA-UHFFFAOYSA-N
+rxn:5:196859:225832:226685,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1cnc(C2CCOCC2)nc1,OQUCAYGLKVSPHW-UHFFFAOYSA-N
+rxn:5:196869:225684:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCOCC3)nc2C)ccc1N1CCOCC1,WHGXWPNHAFFRRF-UHFFFAOYSA-N
+rxn:5:196872:222981:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCOCC2)c(-c2ccnc(NC3CCCCC3)c2)c1,ZDXHEVANYKPFSS-UHFFFAOYSA-N
+rxn:5:196916:225639:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCCC2=O)c(-c2cccnc2N2CCC(C)CC2)c1,DWJBVSCVTFKUCQ-UHFFFAOYSA-N
+rxn:5:196916:226366:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCCC2=O)c(-c2ccnc(N3CCCCC3)c2)c1,YXMVIQOXMDGVJQ-UHFFFAOYSA-N
+rxn:5:196916:226371:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCCC2=O)c(-c2cnc(N3CCCC3)cc2C)c1,XKDKNNDEYAGFHL-UHFFFAOYSA-N
+rxn:5:196917:225985:225655,CC1CCN(c2cncc(-c3ccc(-c4cccc(N5CCCS5(=O)=O)c4)c(C4=NC(C)(C)CO4)c3)c2)CC1,JFMRFVVAZJBVII-UHFFFAOYSA-N
+rxn:5:196919:225638:225986,CC1CCN(c2ccc(-c3ccc(C4=NC(C)(C)CO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)cn2)CC1,QCPBYDNXUDUFBF-UHFFFAOYSA-N
+rxn:5:196919:225639:225986,CC1CCN(c2ncccc2-c2ccc(C3=NC(C)(C)CO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)CC1,SNVVZJFWIVEXMK-UHFFFAOYSA-N
+rxn:5:196919:225652:225986,CC1CCCN(c2cncc(-c3ccc(C4=NC(C)(C)CO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)c2)C1,AOLTYYRZCPYIIY-UHFFFAOYSA-N
+rxn:5:196919:225656:225986,CC1CCCCN1c1cncc(-c2ccc(C3=NC(C)(C)CO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)c1,LLMOYZOKDGUNDJ-UHFFFAOYSA-N
+rxn:5:196922:225639:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2cccnc2N2CCC(C)CC2)cc(N2CCCCC2=O)c1,RBUDFRWFHJKRHI-UHFFFAOYSA-N
+rxn:5:196922:226371:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2cnc(N3CCCC3)cc2C)cc(N2CCCCC2=O)c1,HPGFGMMCXVPGTK-UHFFFAOYSA-N
+rxn:5:196969:222998:222986,Cc1cc(-c2cc(C3CCCCC3)ncc2-c2cc(F)cc(C3CCCNC3)c2)cc(C2CCCNC2)n1,BTRANIOYXKKMJI-UHFFFAOYSA-N
+rxn:5:196969:227684:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1cnn(CC2OCCO2)c1,IXAAQIOOIVRZRN-UHFFFAOYSA-N
+rxn:5:196970:222959:225832,Cc1cc(-c2c(C3CCCCC3)ccnc2-c2c(C)nn(C3CCCCO3)c2C)ccc1C1CCNCC1,MGIVXHDJPXJKEO-UHFFFAOYSA-N
+rxn:5:196970:225938:225800,O=C(c1ccc(-c2nccc(C3CCCCC3)c2-c2cc(C(F)(F)F)ncc2C2CC2)cc1)N1CCSC1,ADWZISNHHXDKDU-UHFFFAOYSA-N
+rxn:5:196971:223064:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCNCC3)nc2F)ncc1C1CCCCC1,BCYRGWFTULOONE-UHFFFAOYSA-N
+rxn:5:196977:225634:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(N2CCCCC2)ccc1-c1cnc(N2CCCCC2)c(C)c1,YDEJZJQGMOHNSQ-UHFFFAOYSA-N
+rxn:5:196977:225636:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(N2CCCCC2)ccc1-c1ccnc(N2CCC(C)CC2)c1,FARMLECMTZMHKX-UHFFFAOYSA-N
+rxn:5:196977:225985:225655,CC1CCN(c2cncc(-c3cc(N4CCCCC4)ccc3-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,VPZDDTGLTKOFIJ-UHFFFAOYSA-N
+rxn:5:196978:225832:226176,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)c(-c2ccncc2C2CCCCC2)c1,BPZYBEAKMHDXCB-UHFFFAOYSA-N
+rxn:5:196979:225871:223065,O=C1C=CC(=O)N1c1cccc(-c2cc(-c3ccc(N4CCNCC4)cc3F)cc(N3CCCCC3)c2)c1,HBJBHDRSNJLVBA-UHFFFAOYSA-N
+rxn:5:222985:182012:222956,Cc1ccc(-c2ccc(-c3ccc(C4CCCNC4)nc3C)cc2C2CCCOC2)c(C2CCCNC2)c1,OMKSVLAIMUODDK-UHFFFAOYSA-N
+rxn:5:223002:196858:222988,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCNCC3)cc2F)cc(C2CCNCC2)n1,CBWWLEQHERVGAG-UHFFFAOYSA-N
+rxn:5:225454:193869:228701,Cc1cc(-c2ccc(C3=CCN(C)CC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C2CC2)nc1,SBNZMVKMCKPNIO-UHFFFAOYSA-N
+rxn:5:225454:193972:229067,CCc1ncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2C)cn1,LXFDFXBBVJGPKR-UHFFFAOYSA-N
+rxn:5:225454:193972:229225,CCn1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2C)cn1,FPJJYEJZHUGUPP-UHFFFAOYSA-N
+rxn:5:225636:193972:228987,Cc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCC(C)CC4)c3)cc2C)c1,FDVOYDMVUUYZRH-UHFFFAOYSA-N
+rxn:5:225636:193972:229045,Cc1cc(F)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCC(C)CC4)c3)cc2C)c1,RMCCBSFSPSMTSV-UHFFFAOYSA-N
+rxn:5:225636:193972:229097,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C)c1,DERNTHKWDACSJX-UHFFFAOYSA-N
+rxn:5:225638:196919:225986,CC1CCN(c2ccc(-c3ccc(C4=NC(C)(C)CO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)cn2)CC1,QCPBYDNXUDUFBF-UHFFFAOYSA-N
+rxn:5:225656:196919:225986,CC1CCCCN1c1cncc(-c2ccc(C3=NC(C)(C)CO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)c1,LLMOYZOKDGUNDJ-UHFFFAOYSA-N
+rxn:5:225832:182009:226438,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnc(C3CCCC3)cc2F)cc1C1CCOCC1,JCOQLTOTKTVMTL-UHFFFAOYSA-N
+rxn:5:225832:182012:226067,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3=CCCCC3)cc2)c(C2CCCOC2)c1,BSTBAKSRRDDGKB-UHFFFAOYSA-N
+rxn:5:225832:182012:226177,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCCCC3)c2)c(C2CCCOC2)c1,NPIWJUQEHSSIEV-UHFFFAOYSA-N
+rxn:5:225832:196970:223141,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1cncc(C2CCNCC2)c1,QMRROTVRPUBNEE-UHFFFAOYSA-N
+rxn:5:225832:196970:226060,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1cc(C2CC2)cc(C2CC2)c1,NCBTZSNEARCIQY-UHFFFAOYSA-N
+rxn:5:225832:196970:226665,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1cnc(C2CCCOC2)nc1,QLHODLVBSMGYLW-UHFFFAOYSA-N
+rxn:5:225871:196979:223065,O=C1C=CC(=O)N1c1cccc(-c2cc(-c3ccc(N4CCNCC4)cc3F)cc(N3CCCCC3)c2)c1,HBJBHDRSNJLVBA-UHFFFAOYSA-N
+rxn:5:225982:181908:222986,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cnc(N3CCOCC3)cc2F)cc(C2CCCNC2)n1,SKBSKNGGKWDLJE-UHFFFAOYSA-N
+rxn:5:225986:196620:225455,Cc1ccc(N2CCCCC2)cc1-c1ccc(N2CCCC2=O)c(-c2ccccc2N2CCCS2(=O)=O)c1,UDJNIICGIILVPA-UHFFFAOYSA-N
+rxn:5:226058:178295:228621,COC(=O)C1(c2cc(-c3ccc(C)cc3SC)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,DHZUUIXFUCPXGY-UHFFFAOYSA-N
+rxn:5:226059:178295:227819,CCc1cc(CC)cc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JJDQJPSPRIBULL-UHFFFAOYSA-N
+rxn:5:226067:178295:228696,COCc1ccc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,PRHYIPVHVOKLNJ-UHFFFAOYSA-N
+rxn:5:226079:178295:223018,COC(=O)C1(c2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)ccc2-c2cc3cc(C(C)C)ccc3s2)CCC(=O)CC1,CWTULYCKROSDQQ-UHFFFAOYSA-N
+rxn:5:226140:178295:228781,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,QOWLCQXJKCZZRC-UHFFFAOYSA-N
+rxn:5:226146:190194:227561,COc1cc(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(SC3CCCC3)cc2)cc1OC,SMZINWKMABFPFR-UHFFFAOYSA-N
+rxn:5:226177:178368:226177,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(C4CCCCC4)c3)c(C)c2)c(C)cc1-c1ccnc(C2CCCCC2)c1,VHKFTNARZKEAGK-UHFFFAOYSA-N
+rxn:5:226182:180022:223061,COc1c(-c2cc(C3CCNCC3)ncc2F)ccc(-c2cccnc2C2CCCCC2)c1C1OCCO1,NMEGCBZADJVHFM-UHFFFAOYSA-N
+rxn:5:226190:189210:228490,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(S(=O)(=O)F)c2)cccc1-c1ccc(C2CCCC2)cc1F,XMAMOKMFMRPDJG-UHFFFAOYSA-N
+rxn:5:226215:193866:228181,COCc1cc(F)ccc1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1ccc2c(c1)CC/C2=N\OC,QTNPRPAJSKUNNA-WUVHBKSUSA-N
+rxn:5:226322:178295:228617,COC(=O)C1(c2cc(-c3c(C)cccc3OC)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,HSLFOKVLQVOMTN-UHFFFAOYSA-N
+rxn:5:226338:193972:228890,Cc1cc(-c2ccnc(OC3CCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C#N)c1,VTJMAGJGXLCDEQ-UHFFFAOYSA-N
+rxn:5:226364:193870:227834,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CC3)c(C)c2)cc1-c1ccc(N2CCCCC2)nc1,OMQMFJQBDVTNJZ-UHFFFAOYSA-N
+rxn:5:226364:193870:227837,Cc1cc(-c2cc(-c3ccc(N4CCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,MNEHERBVRWTXSA-UHFFFAOYSA-N
+rxn:5:226366:196198:223065,O=C1C=CC(=O)N1c1ccc(-c2ccnc(N3CCCCC3)c2)c(-c2ccc(N3CCNCC3)cc2F)c1,IJJQGQRFTMGFGE-UHFFFAOYSA-N
+rxn:5:226395:193869:227837,Cc1cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3cncc(N4CCCCC4)c3)cc2C)cc(C2CC2)c1,WFIJMNAVNOAXKQ-UHFFFAOYSA-N
+rxn:5:226395:193870:227828,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(C3CC3)c2C)cc1-c1cncc(N2CCCCC2)c1,NOBMAPCIGHDNOJ-UHFFFAOYSA-N
+rxn:5:226414:193228:223173,O=C(c1cc(-c2ccc(C3=NCCCO3)cc2)cc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1)N1CCSCC1,FCGKYUHKAXXPLJ-UHFFFAOYSA-N
+rxn:5:226414:193506:227416,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2cc(F)nc(C3CCC3)c2)CC1,KIOWKGUQNJVXFS-UHFFFAOYSA-N
+rxn:5:226461:178295:226084,COC(=O)C1(c2cc(-c3ccc4c(c3)C(=O)CCCC4)ccc2-c2cncc3c2ccn3C(C)=O)CCC(=O)CC1,AWMRMRUPNPHHGF-UHFFFAOYSA-N
+rxn:5:226643:196969:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccc(N2CCOCC2)nc1,WYMGOWBNIBUGHM-UHFFFAOYSA-N
+rxn:5:226665:196969:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1cnc(C2CCCOC2)nc1,TWCWFSUJJYOQNK-UHFFFAOYSA-N
+rxn:5:226679:189210:223378,O=C(ON1C(=O)CCC1=O)c1c(-c2cnc3c(c2)NCCO3)cccc1-c1cnc(N2CCCC2)cc1F,CONQAFDMIVFMAQ-UHFFFAOYSA-N
+rxn:5:226686:193337:223140,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccnc(C3CCCNC3)c2)c(CN2CCOCC2)c1,LBLKWLVNASKPAV-UHFFFAOYSA-N
+rxn:5:226686:193540:223136,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCCC2)c(-c2ccncc2C2CCCNC2)c1,GQILUIWLJZSHOC-UHFFFAOYSA-N
+rxn:5:226769:178295:228765,CCc1cc(F)c(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,GRRLVPCPRXEHGF-UHFFFAOYSA-N
+rxn:5:226772:178295:228596,CCc1ccc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)n1,FMUVNJJXRQNXFK-UHFFFAOYSA-N
+rxn:5:226778:189908:227449,COc1cc(-c2cnc(-c3ccc(C4CCOCC4)s3)c(OCC3CCCCC3)c2)c(F)c(F)c1OC,BROSMRGCFBZEFY-UHFFFAOYSA-N
+rxn:5:226910:178295:228019,CCC(C)(C)c1ccc(-c2ccc(-c3cc(C(C)=O)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,QHAAZJLZGIXMSM-UHFFFAOYSA-N
+rxn:5:226911:178295:227038,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(C(C)C)ccc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,CXRSYAAUZFDQJM-UHFFFAOYSA-N
+rxn:5:226916:178295:227974,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3C)ccc2-c2cccc(C3=CCCC3)c2)CCC(=O)CC1,SGAPFLYBBWCHRE-UHFFFAOYSA-N
+rxn:5:226918:178295:227071,COCc1cc(C)c(-c2ccc(-c3ccc(C4=CCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,JJUKIUVFZUQYIP-UHFFFAOYSA-N
+rxn:5:226959:178295:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccc3c(c2)CC(C)(C)O3)CCC(=O)CC1,KTKARVZJMHMALB-UHFFFAOYSA-N
+rxn:5:226969:178295:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,TVHKZDMJILJEGQ-UHFFFAOYSA-N
+rxn:5:226971:178295:228257,COC(=O)C1(c2cc(-c3c(F)cc(C)cc3OC)ccc2-c2ccc3c(c2)CCCOC3)CCC(=O)CC1,MYDKTUFXVYKRTK-UHFFFAOYSA-N
+rxn:5:227018:178295:227940,CCc1cc(SC)cc(-c2ccc(-c3ccc(C(C)(C)C#N)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZYFBOTCJTZMBNN-UHFFFAOYSA-N
+rxn:5:227048:178295:227088,COC(=O)C1(c2cc(-c3cc(C)nc(C(C)(C)C)c3)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,FLQVCOCGCPGZKU-UHFFFAOYSA-N
+rxn:5:227052:178295:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,ZBZYPTORXUKZEO-UHFFFAOYSA-N
+rxn:5:227058:178295:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2cc(C3CC3)ccc2OC)CCC(=O)CC1,IBOJCZLJDYABQG-UHFFFAOYSA-N
+rxn:5:227068:178295:223421,CNC(C)c1ccc(-c2ccc(-c3ccc(CC(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,SSBVILKMJDGSBH-UHFFFAOYSA-N
+rxn:5:227069:178295:227919,CCOc1cc(C)cc(-c2ccc(-c3ccc(OC)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YLXDWAMBKQPNAT-UHFFFAOYSA-N
+rxn:5:227072:178295:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2ccc(C3CC3)cc2OC)CCC(=O)CC1,TXTUSWGGKXWEFX-UHFFFAOYSA-N
+rxn:5:227075:178295:227904,CCN(C)c1ccc(-c2ccc(-c3cc(OC)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,UIFRHICFNMRIMU-UHFFFAOYSA-N
+rxn:5:227075:178295:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(OC)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JQHWACZYAFCPAE-UHFFFAOYSA-N
+rxn:5:227076:191026:227705,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cnc(C(F)F)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,SRHMDQGNRGJUBC-UHFFFAOYSA-N
+rxn:5:227076:191026:227820,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(C)(C)C)cc4)c2)C=C(C(=O)OC)S3(=O)=O)c1,CPVZGMJRPIHYTF-UHFFFAOYSA-N
+rxn:5:227077:178295:228396,CCC(C)c1ccc(-c2ccc(-c3c(F)cc(OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,UKHXEJRNVZVMKZ-UHFFFAOYSA-N
+rxn:5:227103:180662:225880,COC(=O)C1=Cc2cc(-c3cc(C4CCOCC4)ncc3F)cc(-c3sccc3C3CCCCC3)c2OC1,QZHZWQVPRKGXNT-UHFFFAOYSA-N
+rxn:5:227106:178295:227935,CCc1cc(-c2ccc(-c3cc(C4CC4)c(C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,SLCVPVPSHHJSAJ-UHFFFAOYSA-N
+rxn:5:227124:178295:228181,COCc1cc(F)ccc1-c1ccc(-c2ccc(C(C)(C)C)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,WAEMDRFUCUNOGV-UHFFFAOYSA-N
+rxn:5:227209:178295:227941,COCc1cc(C)cc(-c2ccc(-c3ccc4c(c3)OC(C)(C)O4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HFWLPCLWPZYCIA-UHFFFAOYSA-N
+rxn:5:227288:178295:227898,COC(=O)C1(c2cc(-c3cncc(CC(C)C)c3)ccc2-c2ccccc2C(=O)N(C)C)CCC(=O)CC1,BODMJZLWPHYOPA-UHFFFAOYSA-N
+rxn:5:227309:178295:227912,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)OC)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,LFSYZLSWQLZJPG-UHFFFAOYSA-N
+rxn:5:227312:178295:227822,CCC(C)c1ccc(-c2ccc(-c3c(C)cccc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,STEIZQPDCNGHKX-UHFFFAOYSA-N
+rxn:5:227319:178295:223421,CNC(C)c1ccc(-c2ccc(-c3cc(CC(C)C)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,VFHGDMKAVHSUEI-UHFFFAOYSA-N
+rxn:5:227353:178295:228156,COC(=O)C1(c2cc(-c3cc(OC)ccc3OC)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,YXFADJGHHPBDRP-UHFFFAOYSA-N
+rxn:5:227375:178368:225633,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCCC4)nc3)c(C)c2)c(C)cc1-c1ccc(N2CCCC2)nc1,BAHOJSJQIJIVSP-UHFFFAOYSA-N
+rxn:5:227387:189448:225986,COC1CN(C(=O)c2ccc(-c3ccnc(N4CCCC4)c3)c(-c3ccccc3N3CCCS3(=O)=O)c2)C1,FFQYGKPTGCONDR-UHFFFAOYSA-N
+rxn:5:227390:180022:223001,COc1c(-c2cc(C3CCCNC3)ccc2F)ccc(-c2ccnn2C2CCCCC2)c1C1OCCO1,SQYIAXWZRKRGAD-UHFFFAOYSA-N
+rxn:5:227416:193506:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CCC4)c3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,ICGXQGFQFMIJPS-UHFFFAOYSA-N
+rxn:5:227521:178295:228279,CCc1cc(F)c(-c2ccc(-c3cc(C(=O)OC)cnc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,VYLJTSVYDWUKGY-UHFFFAOYSA-N
+rxn:5:227530:178295:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cc(C(=O)OC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,UONAGHXRWBPZPH-UHFFFAOYSA-N
+rxn:5:227568:178295:228268,COC(=O)C1(c2cc(-c3ccc(C)c(F)c3SC)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,XKGARJGISZTXQK-UHFFFAOYSA-N
+rxn:5:227587:193462:225454,COc1cc(-c2ccc(-c3ccc(C4=CCN(C)CC4)cc3)c(CN3CCC(=O)CC3)c2)cc(F)c1OC,RTNSHGHEEVKJTN-UHFFFAOYSA-N
+rxn:5:227701:178295:227816,CCCc1ccc(-c2ccc(-c3cc(C(=O)OC)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,GDONJGWZMIHGBV-UHFFFAOYSA-N
+rxn:5:227808:178295:226783,COC(=O)C1(c2cc(-c3c(OC)cc(F)c(F)c3OC)ccc2-c2ccc3c(c2)CCCC3)CCC(=O)CC1,AXKQOSGNBAMLBD-UHFFFAOYSA-N
+rxn:5:227810:178295:227313,CCC(C)c1ccc(-c2ccc(-c3cc(C(C)CC)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,XVRPZTPRFYVBAU-UHFFFAOYSA-N
+rxn:5:227810:178295:227339,CCC(C)c1ccc(-c2ccc(-c3ccc(C)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,SDTQTKMPSZEXBL-UHFFFAOYSA-N
+rxn:5:227813:178295:223270,CCc1cccc(CC)c1-c1ccc(-c2ccc(F)cc2NC(C)=O)cc1C1(C(=O)OC)CCC(=O)CC1,HWCQIVZQSPCDQF-UHFFFAOYSA-N
+rxn:5:227816:178295:227696,CCCc1ccc(-c2ccc(-c3ccc(C(=O)OC)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,VXDRBPCWPLLFEW-UHFFFAOYSA-N
+rxn:5:227818:178295:227052,CCC(C)c1cccc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,GYOXGSCJHTUPFU-UHFFFAOYSA-N
+rxn:5:227819:178295:226923,CCc1cc(CC)cc(-c2ccc(-c3cc(C)c(C4CC4)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RIKNFSHEUDQMGC-UHFFFAOYSA-N
+rxn:5:227821:178295:225498,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C3CCCCC3)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,MWJZKJBXBWIGNT-UHFFFAOYSA-N
+rxn:5:227821:178295:227038,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C(C)C)ccc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,YJXFXUFTWFNWQL-UHFFFAOYSA-N
+rxn:5:227822:178295:226910,CCC(C)(C)c1ccc(-c2ccc(-c3c(C)cccc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,WCMGBPKCUFZUAQ-UHFFFAOYSA-N
+rxn:5:227822:178295:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3c(C)cccc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,RAVAZTPUHBNQIA-UHFFFAOYSA-N
+rxn:5:227822:178295:227309,CCC(C)c1cc(-c2ccc(-c3c(C)cccc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,JZZAPQQDYBHOQT-UHFFFAOYSA-N
+rxn:5:227834:193869:226395,Cc1cc(-c2ccc(C3CC3)c(C)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCCCC2)c1,XTYWCKUUWUIANG-UHFFFAOYSA-N
+rxn:5:227837:193972:227376,Cc1cc(-c2cc(C)c(-c3cncc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc(C2CC2)c1,AYSIDHHQEYVVJK-UHFFFAOYSA-N
+rxn:5:227838:178295:227071,COCc1cc(C)c(-c2ccc(-c3cc(C)ccc3C3CC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,QGTROLYXILAAFG-UHFFFAOYSA-N
+rxn:5:227906:178295:227063,CCC(C)c1ncccc1-c1ccc(-c2ccc(C)cc2OC(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,JFSNKIHBTUCZIN-UHFFFAOYSA-N
+rxn:5:227907:191026:227102,CCC(C)c1cncc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(C)(C)C)ccc4F)c2)C=C(C(=O)OC)S3(=O)=O)c1,CEFWVDFNPJOYSJ-UHFFFAOYSA-N
+rxn:5:227923:178295:227071,CCOc1ccc(C)cc1-c1ccc(-c2c(C)cc(COC)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,JGOJFEXMYXJNSI-UHFFFAOYSA-N
+rxn:5:227935:178295:226061,CCc1cc(-c2ccc(-c3cc(C(C)C)cc(C4CC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,NUXAWMKJCOUPSU-UHFFFAOYSA-N
+rxn:5:227935:178295:226968,CCc1cc(-c2ccc(-c3ccc4c(c3)OC(C)(C)C4)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,GGZURPXIMANBNZ-UHFFFAOYSA-N
+rxn:5:227935:190194:225868,CCc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(N3CCOCC3)c(F)c2)ccc1OC,GSHDPQZFDPDIKD-UHFFFAOYSA-N
+rxn:5:227941:178295:227106,COCc1cc(C)cc(-c2ccc(-c3cc(C4CC4)c(C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,OADRXIXZJJZNGQ-UHFFFAOYSA-N
+rxn:5:227989:178295:227592,CC#Cc1ccc(F)c(-c2ccc(-c3cc(F)cc(OC)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AAYIQPKAWSDOOH-UHFFFAOYSA-N
+rxn:5:227998:193506:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3C3CC3)cc2-c2ccc(N3CCCCC3)nc2)CC1,JSBUFKGXSZQENW-UHFFFAOYSA-N
+rxn:5:228000:178295:227561,COC(=O)C1(c2cc(-c3cc(OC)c(OC)cc3F)ccc2-c2cc(C)c(C)cc2OC)CCC(=O)CC1,QSFOMVSMGJZLJK-UHFFFAOYSA-N
+rxn:5:228012:193506:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3C3CC3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,SFMHIOOSZSZAHN-UHFFFAOYSA-N
+rxn:5:228020:193506:225633,O=C1CCN(S(=O)(=O)c2ccc(-c3c(F)cccc3C3CC3)cc2-c2ccc(N3CCCCCC3)nc2)CC1,ZDNUDDLVTQXMQD-UHFFFAOYSA-N
+rxn:5:228078:178295:227124,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3F)ccc2-c2ccc3c(c2)COC3=O)CCC(=O)CC1,BYQYJVOVNCXVRF-UHFFFAOYSA-N
+rxn:5:228138:193870:226366,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCCCC3)c2)cc1-c1ccc(CC#N)c(F)c1,VKYZQNSPKLSFRV-UHFFFAOYSA-N
+rxn:5:228141:178295:227069,CCCc1cc(F)c(-c2ccc(-c3ccc(OC)cc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,FNSRPUIZTJDMQZ-UHFFFAOYSA-N
+rxn:5:228179:178295:225499,COCc1cc(F)cc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,SKZATSWWSXNBER-UHFFFAOYSA-N
+rxn:5:228435:178295:227313,CCC(C)c1cc(-c2ccc(-c3c(SC)ccc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,HTABZTOOBDGSKJ-UHFFFAOYSA-N
+rxn:5:228562:178295:227120,CCC(C)c1csc(-c2ccc(-c3ccc(C4CCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,YOERIQCUEFQMST-UHFFFAOYSA-N
+rxn:5:228564:178295:227075,CCC(C)c1ccc(-c2ccc(-c3cc(OC)cc(C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)s1,FVOPZBRRZJGTOL-UHFFFAOYSA-N
+rxn:5:228629:178295:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(C4CCC4)s3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,JFLVOXQIYUUQOQ-UHFFFAOYSA-N
+rxn:5:228637:178295:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2cc(C)c(F)cc2C)CCC(=O)CC1,ZGFLXVUDHBMMBQ-UHFFFAOYSA-N
+rxn:5:228696:178295:225499,COCc1ccc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,JFUFWGGQZBWXQL-UHFFFAOYSA-N
+rxn:5:228697:178295:226190,COCc1cc(-c2ccc(-c3ccc(C4CCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,KMIVHHSWFQRLBN-UHFFFAOYSA-N
+rxn:5:228885:193870:225462,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(N3CCC(C)CC3)c2)cc1-c1cnc(C#N)c(F)c1,UNYXNQLUWAEYAD-UHFFFAOYSA-N
+rxn:5:228890:193972:226338,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(OC2CCCC2)c1,RSNDNKCIVFVSBQ-UHFFFAOYSA-N
+rxn:5:228890:193972:226662,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCN(C)CC2)s1,AMUXKAAYUSTLSS-UHFFFAOYSA-N
+rxn:5:228978:193972:225655,CCc1ccc(-c2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1,MCTDENHITQLNNL-UHFFFAOYSA-N
+rxn:5:228984:193972:225636,Cc1ccc(C)c(-c2cc(C)c(-c3ccnc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,QIHDNVXNKVNVEO-UHFFFAOYSA-N
+rxn:5:228985:193972:225633,Cc1ccc(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(C)c1,MDLDTVKDGDGHOL-UHFFFAOYSA-N
+rxn:5:228985:193972:225636,Cc1ccc(-c2cc(C)c(-c3ccnc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(C)c1,SPMWHNPYIFBCPH-UHFFFAOYSA-N
+rxn:5:228985:193972:225655,Cc1ccc(-c2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(C)c1,ZLGFULXJOFYCOV-UHFFFAOYSA-N
+rxn:5:228989:193972:225633,Cc1cc(-c2c(C)cccc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCCC2)nc1,CJZKMUMEEFNLHE-UHFFFAOYSA-N
+rxn:5:229029:193972:225655,Cc1cc(-c2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)ccc1F,PIZOMLBLQSMSJK-UHFFFAOYSA-N
+rxn:5:229037:193972:225655,Cc1ccc(-c2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1F,SRVPKELGRTYWCV-UHFFFAOYSA-N
+rxn:5:229045:193972:225639,Cc1cc(F)cc(-c2cc(C)c(-c3cccnc3N3CCC(C)CC3)cc2S(=O)(=O)N2CCCCCC2)c1,OTBKQXISAXNAGQ-UHFFFAOYSA-N